7-(3-methylbenzofuran-2-yl)-3-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C29H18N6O4S
InChI: InChI=1/C29H18N6O4S/c1-17-22-9-5-6-10-23(22)39-26(17)27-30-29-34(32-27)28(36)24(40-29)15-19-16-33(20-7-3-2-4-8-20)31-25(19)18-11-13-21(14-12-18)35(37)38/h2-16H,1H3
InChIKey: InChIKey=BWGNWSHRYTVNLF-UHFFFAOYAE
SMILES: CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CN(N=C5C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7)SC4=N3 Names:
7-(3-methylbenzofuran-2-yl)-3-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Registries:
ChemSpider: InChIKey=BWGNWSHRYTVNLF-UHFFFAOYAE
PubChem CID 4503777
PubChem ID 6627737
InChI: InChI=1/C29H18N6O4S/c1-17-22-9-5-6-10-23(22)39-26(17)27-30-29-34(32-27)28(36)24(40-29)15-19-16-33(20-7-3-2-4-8-20)31-25(19)18-11-13-21(14-12-18)35(37)38/h2-16H,1H3
InChIKey: InChIKey=BWGNWSHRYTVNLF-UHFFFAOYAE
SMILES: CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CN(N=C5C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7)SC4=N3 Names:
7-(3-methylbenzofuran-2-yl)-3-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Registries:
ChemSpider: InChIKey=BWGNWSHRYTVNLF-UHFFFAOYAE
PubChem CID 4503777
PubChem ID 6627737
