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

Systemtic Name: N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzyl-5-methyl-pyrazol-3-yl)-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: N-[5-methyl-2-(phenylmethyl)-3-pyrazolyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzyl-5-methylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-benzyl-5-methyl-pyrazol-3-yl)-2,3-dihydrobenzothiophene-2-carboxamide Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-14-11-19(23(22-14)13-15-7-3-2-4-8-15)21-20(24)18-12-16-9-5-6-10-17(16)25-18/h2-11,18H,12-13H2,1H3,(H,21,24)