3-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O2S2/c25-18(23-11-4-8-16(23)17-9-5-13-27-17)14-28-20-22-21-19(26)24(20)12-10-15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2,(H,21,26)