(2S)-N-cyclopropyl-2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: (2S)-N-cyclopropyl-2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: (2S)-N-cyclopropyl-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)C1=NC(=NN1)S[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C16H20N4OS/c1-10(2)14-18-16(20-19-14)22-13(11-6-4-3-5-7-11)15(21)17-12-8-9-12/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)/t13-/m0/s1