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

Systemtic Name: [4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylcarbamoylamino]phenyl] thiocyanate Openeye Name: [4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylcarbamoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylcarbamoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylcarbamoylamino]phenyl] ester Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=O)NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=CNC(=O)NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H15N5O2S/c1-13-17(18(25)24(23-13)15-5-3-2-4-6-15)11-21-19(26)22-14-7-9-16(10-8-14)27-12-20/h2-11H,1H3,(H2,21,22,26)