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

Systemtic Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H18N4O3S3/c1-28(24,25)22-8-2-4-12-10-13(6-7-14(12)22)15(23)11-27-18-19-17(20-21-18)16-5-3-9-26-16/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,19,20,21)