N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C21H22N4OS/c1-14-18(15(2)25(24-14)16-8-4-3-5-9-16)12-22-23-21(26)19-13-27-20-11-7-6-10-17(19)20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,23,26)/b22-12+