2-(2-methyl-4-phenyl-quinolin-3-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one hydrochloride

Systemtic Name: 2-(2-methyl-4-phenyl-quinolin-3-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one hydrochloride Openeye Name: 2-(2-methyl-4-phenyl-3-quinolyl)-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride CAS Name: 2-(2-methyl-4-phenyl-3-quinolinyl)-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 2-(2-methyl-4-phenylquinolin-3-yl)-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride Traditional Name: 1,1-diketo-2-(2-methyl-4-phenyl-3-quinolyl)-1,2-benzothiazol-3-one hydrochloride Formula: C23H17ClN2O3S MolecularWeight: 436.91068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1N3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1N3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C23H16N2O3S.ClH/c1-15-22(25-23(26)18-12-6-8-14-20(18)29(25,27)28)21(16-9-3-2-4-10-16)17-11-5-7-13-19(17)24-15;/h2-14H,1H3;1H