2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-13-9-7-8-12-16(13)17-23-24-20(25(17)3)28-14(2)18(26)22-19(27)21-15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H2,21,22,26,27)