N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[2-(pyrazol-1-ylmethyl)benzyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C20H21N3OS/c24-20(18-14-25-19-9-4-3-8-17(18)19)21-12-15-6-1-2-7-16(15)13-23-11-5-10-22-23/h1-2,5-7,10-11,14H,3-4,8-9,12-13H2,(H,21,24)