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

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-chlorophenyl)-1H-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=C(C(=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

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