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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-3-12(2)18-15(22)11-23-17-19-16(13-9-10-13)21(20-17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,18,22)/t12-/m0/s1