2-[[1,5-dimethyl-4-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]-2-phenyl-pyrazol-3-ylidene]amino]benzenethiolate; nickel

Systemtic Name: 2-[[1,5-dimethyl-4-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]-2-phenyl-pyrazol-3-ylidene]amino]benzenethiolate; nickel Openeye Name: 2-[[1,5-dimethyl-4-[[(Z)-1-methyl-3-oxo-but-1-enyl]amino]-2-phenyl-pyrazol-3-ylidene]amino]benzenethiolate; nickel CAS Name: 2-[[1,5-dimethyl-4-[[(Z)-4-oxopent-2-en-2-yl]amino]-2-phenyl-3-pyrazolylidene]amino]benzenethiolate; nickel IUPAC Name: 2-[[1,5-dimethyl-4-[[(Z)-4-oxopent-2-en-2-yl]amino]-2-phenylpyrazol-3-ylidene]amino]benzenethiolate; nickel Traditional Name: 2-[[4-[[(Z)-3-keto-1-methyl-but-1-enyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-ylidene]amino]benzenethiolate; nickel Formula: C22H23N4NiOS- MolecularWeight: 450.20262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2[S-])N(N1C)C3=CC=CC=C3)NC(=CC(=O)C)C.[Ni]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2[S-])N(N1C)C3=CC=CC=C3)N/C(=C\C(=O)C)/C.[Ni]

InChI

InChI=1S/C22H24N4OS.Ni/c1-15(14-16(2)27)23-21-17(3)25(4)26(18-10-6-5-7-11-18)22(21)24-19-12-8-9-13-20(19)28;/h5-14,23,28H,1-4H3;/p-1/b15-14-,24-22?;