2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-methyl-5-(1-methylsulfonyl-3-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)N2CCCC3=CC=CC=C32)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)N2CCCC3=CC=CC=C32)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C20H27N5O4S/c1-22-19(16-9-5-11-23(13-16)30(2,28)29)21-25(20(22)27)14-18(26)24-12-6-8-15-7-3-4-10-17(15)24/h3-4,7,10,16H,5-6,8-9,11-14H2,1-2H3