(3S)-2-azanylidene-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]butanedinitrile

Systemtic Name: (3S)-2-azanylidene-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]butanedinitrile Openeye Name: (2S)-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]acetimidoyl cyanide CAS Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylideneamino]-3-iminobutanedinitrile IUPAC Name: (2S)-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]ethanimidoyl cyanide Traditional Name: (3S)-2-imino-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyleneamino]succinonitrile Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NC(C#N)C(=N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=N[C@H](C#N)C(=N)C#N

InChI

InChI=1S/C16H14N6O/c1-11-13(10-20-15(9-18)14(19)8-17)16(23)22(21(11)2)12-6-4-3-5-7-12/h3-7,10,15,19H,1-2H3/t15-/m1/s1