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

Systemtic Name: [3-bromanyl-4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester IUPAC Name: [3-bromo-4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]phenyl] ester Formula: C20H17BrN4OS MolecularWeight: 441.34418

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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)Br)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)Br)C(=N2)C)C

InChI

InChI=1S/C20H17BrN4OS/c1-12-4-7-19(13(2)8-12)25-20(26)16(14(3)24-25)10-23-18-6-5-15(27-11-22)9-17(18)21/h4-10,23H,1-3H3