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

Systemtic Name: 3-chloranyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]benzothiophene-2-carboxamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C22H20ClN3OS/c1-13-8-4-5-9-16(13)12-26-15(3)20(14(2)25-26)24-22(27)21-19(23)17-10-6-7-11-18(17)28-21/h4-11H,12H2,1-3H3,(H,24,27)