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

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-benzothiophene-3-carboxamide Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]benzothiophene-3-carboxamide CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-benzothiophene-3-carboxamide IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-benzothiophene-3-carboxamide Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]benzothiophene-3-carboxamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3OS/c1-14-8-4-5-9-17(14)12-25-16(3)21(15(2)24-25)23-22(26)19-13-27-20-11-7-6-10-18(19)20/h4-11,13H,12H2,1-3H3,(H,23,26)