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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-methyl-benzothiophene-2-carboxamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N3OS/c1-15-19-11-7-8-12-21(19)28-22(15)23(27)24-13-20-16(2)25-26(17(20)3)14-18-9-5-4-6-10-18/h4-12H,13-14H2,1-3H3,(H,24,27)