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

Systemtic Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=CN2C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=CN2C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C16H11ClN4S/c17-14-5-2-6-15(8-14)21-11-19-20-16(21)22-10-13-4-1-3-12(7-13)9-18/h1-8,11H,10H2