3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)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=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O4S2/c1-3-8-20-16(23)18-19-17(20)26-11-15(22)13-6-7-14-12(10-13)5-4-9-21(14)27(2,24)25/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,23)