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

Systemtic Name: (5S)-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-N,5-dimethyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-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)N(C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-15-8-9-19-17(10-15)11-20(26-19)21(25)23(2)13-16-12-22-24(14-16)18-6-4-3-5-7-18/h3-7,11-12,14-15H,8-10,13H2,1-2H3/t15-/m0/s1