3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-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-phenethyl-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-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]sulfanyl-4-phenethyl-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-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S2/c1-32(29,30)26-12-5-8-17-14-18(9-10-19(17)26)20(27)15-31-22-24-23-21(28)25(22)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,23,28)