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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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