2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Molecular Formula:
C33H36N6O4S
InChI: InChI=1/C33H36N6O4S/c40-32(37-21-19-36(20-22-37)27-13-15-29(16-14-27)39(41)42)24-44-33-35-34-31(38(33)28-9-5-2-6-10-28)23-43-30-17-11-26(12-18-30)25-7-3-1-4-8-25/h2,5-6,9-18,25H,1,3-4,7-8,19-24H2
InChIKey: InChIKey=QQBDXPDLBLQOKP-UHFFFAOYAQ
SMILES: C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-] Names:
2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Registries:
ChemSpider: InChIKey=QQBDXPDLBLQOKP-UHFFFAOYAQ
PubChem CID 3569628
PubChem ID 4835094
InChI: InChI=1/C33H36N6O4S/c40-32(37-21-19-36(20-22-37)27-13-15-29(16-14-27)39(41)42)24-44-33-35-34-31(38(33)28-9-5-2-6-10-28)23-43-30-17-11-26(12-18-30)25-7-3-1-4-8-25/h2,5-6,9-18,25H,1,3-4,7-8,19-24H2
InChIKey: InChIKey=QQBDXPDLBLQOKP-UHFFFAOYAQ
SMILES: C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-] Names:
2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Registries:
ChemSpider: InChIKey=QQBDXPDLBLQOKP-UHFFFAOYAQ
PubChem CID 3569628
PubChem ID 4835094
