methyl 3-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylbenzoate

Systemtic Name: methyl 3-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylbenzoate Openeye Name: methyl 3-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]benzoate CAS Name: 3-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylbenzoate Traditional Name: 3-[[2-(3-keto-5-methyl-3-pyrazolin-4-yl)-4-quinolyl]thio]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O3S/c1-12-19(20(25)24-23-12)17-11-18(15-8-3-4-9-16(15)22-17)28-14-7-5-6-13(10-14)21(26)27-2/h3-11H,1-2H3,(H2,23,24,25)