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

Systemtic Name: 5-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-[2-(1-phenylpyrazol-4-yl)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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

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