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

Systemtic Name: 3-chloranyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)benzothiophene-2-carboxamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN3OS/c1-12-18(13(2)24(23-12)14-8-4-3-5-9-14)22-20(25)19-17(21)15-10-6-7-11-16(15)26-19/h3-11H,1-2H3,(H,22,25)