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

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(3,4-dichlorophenyl)-5-(3-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(=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4)C#N

InChI

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