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

Systemtic Name: 3-[[5-(2-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-chlorophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]benzonitrile CAS Name: 3-[[5-(2-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]benzonitrile IUPAC Name: 3-[[5-(2-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]benzonitrile Traditional Name: 3-[[5-(2-chlorophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]benzonitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=S)N(N2)CC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=S)N(N2)CC3=CC=CC(=C3)C#N)Cl

InChI

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