2-[(2E)-2-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(2E)-2-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(2E)-2-(3-amino-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carbonitrile CAS Name: 2-[(2E)-2-(3-amino-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(2E)-2-(3-amino-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(N'E)-N'-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carbonitrile Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=C2C#N)NN=C3C(=NN(C3=O)C4=CC=CC=C4)N)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=C2C#N)N/N=C/3\C(=NN(C3=O)C4=CC=CC=C4)N)C

InChI

InChI=1S/C20H18N6O2S/c1-20(2)8-12-13(10-21)18(29-16(12)14(27)9-20)24-23-15-17(22)25-26(19(15)28)11-6-4-3-5-7-11/h3-7,24H,8-9H2,1-2H3,(H2,22,25)/b23-15+