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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiophene-2-carboxamide Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N4O2S2/c1-14-20(23(29)27(26(14)2)15-8-4-3-5-9-15)25-21(28)18-12-13-19(30-18)22-24-16-10-6-7-11-17(16)31-22/h3-13H,1-2H3,(H,25,28)