3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O4S2/c1-2-9-21-16(23)18-19-17(21)26-12-15(22)13-5-7-14(8-6-13)27(24,25)20-10-3-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,18,23)