5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H23N3OS/c1-15-3-8-19-17(13-15)14-20(26-19)21(25)22-11-9-16-4-6-18(7-5-16)24-12-2-10-23-24/h2,4-7,10,12,14-15H,3,8-9,11,13H2,1H3,(H,22,25)