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

Systemtic Name: 3-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-1-phenyl-2-pyrrolidino-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c27-20(25-14-7-8-15-25)19(18-11-5-2-6-12-18)29-22-24-23-21(28)26(22)16-13-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,28)