2-[(2E)-2-(3-azanyl-5-azanylidene-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-azanylidene-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-imino-1-phenyl-pyrazol-4-ylidene)hydrazino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carbonitrile CAS Name: 2-[(2E)-2-(3-amino-5-imino-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-imino-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-imino-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carbonitrile Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7OS/c1-20(2)8-12-13(10-21)19(29-16(12)14(28)9-20)25-24-15-17(22)26-27(18(15)23)11-6-4-3-5-7-11/h3-7,23,25H,8-9H2,1-2H3,(H2,22,26)/b23-18?,24-15+