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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-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=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-14(18(26)22-19(27)21-17-11-7-4-8-12-17)28-20-24-23-15(2)25(20)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3,(H2,21,22,26,27)