4-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H13Cl2N5S MolecularWeight: 438.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4)C#N

InChI

InChI=1S/C21H13Cl2N5S/c22-18-6-5-17(11-19(18)23)28-20(16-7-9-25-10-8-16)26-27-21(28)29-13-15-3-1-14(12-24)2-4-15/h1-11H,13H2