3-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S/c1-13(15(22)20-10-5-6-11-20)24-17-19-18-16(23)21(17)12-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,23)/t13-/m0/s1