2-chloranyl-7-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-methyl-3-[(3R)-2-methylsulfonyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-methyl-3-[(3R)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-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]-7-methyl-quinoline Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)[C@H]3CC(=NN3S(=O)(=O)C)C4=CC=CS4)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-11-5-6-12-9-13(18(19)20-14(12)8-11)16-10-15(17-4-3-7-25-17)21-22(16)26(2,23)24/h3-9,16H,10H2,1-2H3/t16-/m1/s1