6-(2-methylsulfonylpropan-2-yl)-8-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]quinoline

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]quinoline Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NN=CN4C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NN=CN4C)S(=O)(=O)C

InChI

InChI=1S/C23H24N4O2S2/c1-23(2,31(4,28)29)19-12-18-9-6-10-24-21(18)20(13-19)17-8-5-7-16(11-17)14-30-22-26-25-15-27(22)3/h5-13,15H,14H2,1-4H3