N'-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: N'-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: N'-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: N'-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: N'-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NNC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NNC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C22H22N4O3S/c1-13-19(14(2)26(25-13)16-9-4-3-5-10-16)20(27)22(29)24-23-21(28)18-12-15-8-6-7-11-17(15)30-18/h3-5,9-10,12H,6-8,11H2,1-2H3,(H,23,28)(H,24,29)