4-butyl-3-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C17H23N5O3S/c1-2-3-8-22-16(25)19-20-17(22)26-11-14(23)12-9-13(18-10-12)15(24)21-6-4-5-7-21/h9-10,18H,2-8,11H2,1H3,(H,19,25)