[4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-nitro-phenyl] thiocyanate

Systemtic Name: [4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-nitro-phenyl] thiocyanate Openeye Name: [4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-3-nitro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-3-nitrophenyl] ester IUPAC Name: [4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-3-nitrophenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-nitro-phenyl] ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)[N+](=O)[O-])C(=N2)C)C

InChI

InChI=1S/C20H17N5O3S/c1-12-4-7-18(13(2)8-12)24-20(26)16(14(3)23-24)10-22-17-6-5-15(29-11-21)9-19(17)25(27)28/h4-10,22H,1-3H3