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

Systemtic Name: [4-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]phenyl] thiocyanate Openeye Name: [4-[[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]phenyl] ester IUPAC Name: [4-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]phenyl] ester Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4OS/c1-13-17(11-20-14-7-9-16(10-8-14)24-12-19)18(23)22(21-13)15-5-3-2-4-6-15/h2-11,20H,1H3/b17-11+