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

Systemtic Name: 3-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzothiophene-2-carboxamide Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3OS/c1-13-17(14(2)25(24-13)15-8-4-3-5-9-15)12-23-21(26)20-19(22)16-10-6-7-11-18(16)27-20/h3-11H,12H2,1-2H3,(H,23,26)