1-[4-[(2S)-butan-2-yl]phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NC=NN2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C14H17N3OS/c1-3-10(2)11-4-6-12(7-5-11)13(18)8-19-14-15-9-16-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17)/t10-/m0/s1