2-chloranyl-8-methyl-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-8-methyl-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-8-methyl-3-[(3S)-2-methylsulfonyl-5-(2-thienyl)-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-8-methyl-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-8-methyl-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3S)-2-mesyl-5-(2-thienyl)-3-pyrazolin-3-yl]-8-methyl-quinoline Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3C=C(NN3S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)[C@@H]3C=C(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/h3-10,15,21H,1-2H3/t15-/m0/s1