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

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H14ClN5S MolecularWeight: 403.88736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C21H14ClN5S/c22-18-4-1-5-19(11-18)27-20(17-3-2-10-24-13-17)25-26-21(27)28-14-16-8-6-15(12-23)7-9-16/h1-11,13H,14H2