N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(methylthio)-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(methylthio)-1,3-benzothiazole-6-sulfonamide Formula: C19H18N4O3S3 MolecularWeight: 446.56622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C19H18N4O3S3/c1-12-17(18(24)23(22(12)2)13-7-5-4-6-8-13)21-29(25,26)14-9-10-15-16(11-14)28-19(20-15)27-3/h4-11,21H,1-3H3