1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H20N4O3S3 MolecularWeight: 448.5821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C19H20N4O3S3/c1-22-18(17-6-4-10-27-17)20-21-19(22)28-12-16(24)14-7-8-15-13(11-14)5-3-9-23(15)29(2,25)26/h4,6-8,10-11H,3,5,9,12H2,1-2H3