6-bromanyl-3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 6-bromanyl-3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide Openeye Name: 6-bromo-3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzothiophene-2-carboxamide CAS Name: 6-bromo-3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-benzothiophene-2-carboxamide IUPAC Name: 6-bromo-3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-benzothiophene-2-carboxamide Traditional Name: 6-bromo-3-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzothiophene-2-carboxamide Formula: C20H15BrClN3O2S MolecularWeight: 476.774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H15BrClN3O2S/c1-11-17(20(27)25(24(11)2)13-6-4-3-5-7-13)23-19(26)18-16(22)14-9-8-12(21)10-15(14)28-18/h3-10H,1-2H3,(H,23,26)