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

Systemtic Name: 2-chloranyl-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methyl-quinoline Openeye Name: 2-chloro-3-[(3S)-5-(2-furyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methyl-quinoline CAS Name: 2-chloro-3-[(3S)-5-(2-furanyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methylquinoline IUPAC Name: 2-chloro-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-6-methylquinoline Traditional Name: 2-chloro-3-[(3S)-5-(2-furyl)-2-mesyl-3-pyrazolin-3-yl]-6-methyl-quinoline Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)Cl)C3C=C(NN3S(=O)(=O)C)C4=CC=CO4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)Cl)[C@@H]3C=C(NN3S(=O)(=O)C)C4=CC=CO4

InChI

InChI=1S/C18H16ClN3O3S/c1-11-5-6-14-12(8-11)9-13(18(19)20-14)16-10-15(17-4-3-7-25-17)21-22(16)26(2,23)24/h3-10,16,21H,1-2H3/t16-/m0/s1