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

Systemtic Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C19H26N4O3S2/c1-3-4-5-10-22-14-20-21-19(22)27-13-18(24)16-8-9-17-15(12-16)7-6-11-23(17)28(2,25)26/h8-9,12,14H,3-7,10-11,13H2,1-2H3