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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylmethyl)propanamide CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C16H20N4OS/c1-10-3-5-12(6-4-10)9-17-15(21)11(2)22-16-18-14(19-20-16)13-7-8-13/h3-6,11,13H,7-9H2,1-2H3,(H,17,21)(H,18,19,20)