(2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)SC2=NNC(=N2)N

InChI

InChI=1S/C15H21N5OS/c1-8(2)11-7-5-6-9(3)12(11)17-13(21)10(4)22-15-18-14(16)19-20-15/h5-8,10H,1-4H3,(H,17,21)(H3,16,18,19,20)/t10-/m0/s1