3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-2-pyrrolidino-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2S/c21-14(19-9-4-5-10-19)12-23-16-18-17-15(22)20(16)11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,22)