2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)diazenyl]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)diazenyl]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)azo-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)azo]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)azo-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carbonitrile Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)N=NC3=C(C4=C(S3)C(=O)CC(C4)(C)C)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)N=NC3=C(C4=C(S3)C(=O)CC(C4)(C)C)C#N

InChI

InChI=1S/C22H21N5OS/c1-13-19(14(2)27(26-13)15-8-6-5-7-9-15)24-25-21-17(12-23)16-10-22(3,4)11-18(28)20(16)29-21/h5-9H,10-11H2,1-4H3