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

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

Isomeric SMILES

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

InChI

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