4-butyl-3-[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C18H22N4O3S/c1-2-3-9-22-17(25)19-20-18(22)26-12-15(23)13-6-4-7-14(11-13)21-10-5-8-16(21)24/h4,6-7,11H,2-3,5,8-10,12H2,1H3,(H,19,25)