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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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