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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H15ClN4S MolecularWeight: 402.8993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4S/c23-19-12-10-18(11-13-19)21-25-26-22(27(21)20-4-2-1-3-5-20)28-15-17-8-6-16(14-24)7-9-17/h1-13H,15H2