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

Systemtic Name: [4-[[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-3-methoxy-phenyl] thiocyanate Openeye Name: [4-[[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]-3-methoxy-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-3-methoxyphenyl] ester IUPAC Name: [4-[[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-3-methoxyphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[(E)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]-3-methoxy-phenyl] ester Formula: C19H15BrN4O2S MolecularWeight: 443.317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O2S/c1-12-16(19(25)24(23-12)14-5-3-13(20)4-6-14)10-22-17-8-7-15(27-11-21)9-18(17)26-2/h3-10,22H,1-2H3/b16-10+