2-chloranyl-8-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-8-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-8-methyl-3-[(3R)-2-methylsulfonyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-8-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-8-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3R)-2-mesyl-5-(2-thienyl)-2-pyrazolin-3-yl]-8-methyl-quinoline Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)[C@H]3CC(=NN3S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C18H16ClN3O2S2/c1-11-5-3-6-12-9-13(18(19)20-17(11)12)15-10-14(16-7-4-8-25-16)21-22(15)26(2,23)24/h3-9,15H,10H2,1-2H3/t15-/m1/s1