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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-ethyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N3O2S/c1-4-15-10-11-18-16(12-15)13-19(28-18)21(26)23-20-14(2)24(3)25(22(20)27)17-8-6-5-7-9-17/h5-9,13,15H,4,10-12H2,1-3H3,(H,23,26)