N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-oxo-isothiochromene-3-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxoisothiochromene-3-carboxamide Traditional Name: 1-keto-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isothiochromene-3-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

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