(3S)-2-azanylidene-3-[[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylideneamino]butanedinitrile

Systemtic Name: (3S)-2-azanylidene-3-[[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylideneamino]butanedinitrile Openeye Name: (2S)-2-[[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-cyano-acetimidoyl cyanide CAS Name: (2S)-2-[[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-iminobutanedinitrile IUPAC Name: (2S)-2-[[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methylideneamino]-2-cyanoethanimidoyl cyanide Traditional Name: (2S)-2-[[4-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methoxy]-3-methoxy-benzylidene]amino]-3-imino-succinonitrile Formula: C23H19BrN6O3 MolecularWeight: 507.33936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=NC(C#N)C(=N)C#N)OC

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=N[C@H](C#N)C(=N)C#N)OC

InChI

InChI=1S/C23H19BrN6O3/c1-29-19(22(24)23(31)30(29)16-6-4-3-5-7-16)14-33-20-9-8-15(10-21(20)32-2)13-28-18(12-26)17(27)11-25/h3-10,13,18,27H,14H2,1-2H3/t18-/m1/s1