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

Systemtic Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N4OS/c1-17-8-6-7-11-21(17)22-26-27-24(28(22)2)30-16-18-12-14-19(15-13-18)23(29)25-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,29)