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

Systemtic Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[(2-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C24H21ClN4OS MolecularWeight: 448.96774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H21ClN4OS/c1-17-8-7-10-18(14-17)23(30)26-15-22-27-28-24(29(22)20-11-3-2-4-12-20)31-16-19-9-5-6-13-21(19)25/h2-14H,15-16H2,1H3,(H,26,30)