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

Systemtic Name: [3-bromanyl-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]phenyl] ester IUPAC Name: [3-bromo-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]phenyl] ester Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)SC#N)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)SC#N)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H13BrN4OS/c1-12-15(18(24)23(22-12)13-5-3-2-4-6-13)10-21-17-8-7-14(25-11-20)9-16(17)19/h2-10,21H,1H3