[3-bromanyl-4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]phenyl] ester Formula: C17H11BrN4O2S MolecularWeight: 415.26384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)SC#N)Br

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)SC#N)Br

InChI

InChI=1S/C17H11BrN4O2S/c1-22-17(24)12-5-3-2-4-11(12)15(21-22)16(23)20-14-7-6-10(25-9-19)8-13(14)18/h2-8H,1H3,(H,20,23)