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

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)propionamide Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C15H19N5OS/c1-9-4-3-5-12(8-9)17-14(21)10(2)22-15-19-18-13(20(15)16)11-6-7-11/h3-5,8,10-11H,6-7,16H2,1-2H3,(H,17,21)/t10-/m0/s1