2-chloranyl-3-[(3S)-2-ethylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]-6-methyl-quinoline

Systemtic Name: 2-chloranyl-3-[(3S)-2-ethylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]-6-methyl-quinoline Openeye Name: 2-chloro-3-[(3S)-2-ethylsulfonyl-5-(2-thienyl)-1,3-dihydropyrazol-3-yl]-6-methyl-quinoline CAS Name: 2-chloro-3-[(3S)-2-ethylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]-6-methylquinoline IUPAC Name: 2-chloro-3-[(3S)-2-ethylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]-6-methylquinoline Traditional Name: 2-chloro-3-[(3S)-2-esyl-5-(2-thienyl)-3-pyrazolin-3-yl]-6-methyl-quinoline Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(C=C(N1)C2=CC=CS2)C3=C(N=C4C=CC(=CC4=C3)C)Cl

Isomeric SMILES

CCS(=O)(=O)N1[C@@H](C=C(N1)C2=CC=CS2)C3=C(N=C4C=CC(=CC4=C3)C)Cl

InChI

InChI=1S/C19H18ClN3O2S2/c1-3-27(24,25)23-17(11-16(22-23)18-5-4-8-26-18)14-10-13-9-12(2)6-7-15(13)21-19(14)20/h4-11,17,22H,3H2,1-2H3/t17-/m0/s1