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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5OS/c1-3-13(2)14-4-6-16(7-5-14)21-17(25)12-26-19-22-18(23-24-19)15-8-10-20-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,23,24)/t13-/m0/s1