[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-(3,4-dihydro-2H-quinoline-1-carbonyl)propyl 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid 1-(3,4-dihydro-2H-quinoline-1-carbonyl)propyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

Isomeric SMILES

CCC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

InChI

InChI=1S/C24H26N4O3S/c1-4-21(22(29)27-15-7-9-17-8-5-6-10-20(17)27)31-23(30)18-11-13-19(14-12-18)28-16(2)25-26-24(28)32-3/h5-6,8,10-14,21H,4,7,9,15H2,1-3H3