3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C17H21N3O2S/c1-3-11(2)12-4-6-13(7-5-12)15(21)10-23-17-19-18-16(22)20(17)14-8-9-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,18,22)/t11-/m0/s1