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

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)C(C)CC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)[C@@H](C)CC

InChI

InChI=1S/C17H23N3O2S/c1-4-10-20-16(22)18-19-17(20)23-11-15(21)14-8-6-13(7-9-14)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)/t12-/m0/s1