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

Systemtic Name: 3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-6-methoxy-benzothiophene-2-carboxamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c1-12-18(21(27)25(24(12)2)13-7-5-4-6-8-13)23-20(26)19-17(22)15-10-9-14(28-3)11-16(15)29-19/h4-11H,1-3H3,(H,23,26)