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

Systemtic Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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)Cl)N2C=NN=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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