N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C20H21N3O2S/c1-13-18(20(25)23(22(13)2)14-8-4-3-5-9-14)21-19(24)16-12-26-17-11-7-6-10-15(16)17/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,21,24)