3-[[3-(4-chlorophenyl)-4-(2-methoxyethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
Molecular Formula:
C21H23ClN6OS
InChI: InChI=1/C21H23ClN6OS/c1-29-13-12-27-20(18-5-7-19(22)8-6-18)25-28(21(27)30)16-26(11-3-9-23)15-17-4-2-10-24-14-17/h2,4-8,10,14H,3,11-13,15-16H2,1H3
InChIKey: InChIKey=YMFXHINLXRPVCI-UHFFFAOYAO
SMILES: COCCN1C(=NN(C1=S)CN(CCC#N)CC2=CN=CC=C2)C3=CC=C(C=C3)Cl Names:
3-[[3-(4-chlorophenyl)-4-(2-methoxyethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile Registries:
ChemSpider: InChIKey=YMFXHINLXRPVCI-UHFFFAOYAO
PubChem CID 2369882
PubChem ID 4855777
InChI: InChI=1/C21H23ClN6OS/c1-29-13-12-27-20(18-5-7-19(22)8-6-18)25-28(21(27)30)16-26(11-3-9-23)15-17-4-2-10-24-14-17/h2,4-8,10,14H,3,11-13,15-16H2,1H3
InChIKey: InChIKey=YMFXHINLXRPVCI-UHFFFAOYAO
SMILES: COCCN1C(=NN(C1=S)CN(CCC#N)CC2=CN=CC=C2)C3=CC=C(C=C3)Cl Names:
3-[[3-(4-chlorophenyl)-4-(2-methoxyethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile Registries:
ChemSpider: InChIKey=YMFXHINLXRPVCI-UHFFFAOYAO
PubChem CID 2369882
PubChem ID 4855777
