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

Systemtic Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: N-phenyl-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: N-phenyl-4-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N4OS/c1-16-7-11-18(12-8-16)21-25-23(27-26-21)29-15-17-9-13-19(14-10-17)22(28)24-20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,24,28)(H,25,26,27)