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

Systemtic Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C22H17ClN4OS MolecularWeight: 420.91458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4OS/c23-18-12-10-16(11-13-18)20-25-22(27-26-20)29-14-15-6-8-17(9-7-15)21(28)24-19-4-2-1-3-5-19/h1-13H,14H2,(H,24,28)(H,25,26,27)