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

Systemtic Name: [3-methoxy-4-[[1-(4-methoxyphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]phenyl] thiocyanate Openeye Name: [3-methoxy-4-[[1-(4-methoxyphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methoxy-4-[[1-(4-methoxyphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester IUPAC Name: [3-methoxy-4-[[1-(4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[5-keto-1-(4-methoxyphenyl)-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-methoxy-phenyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-13-17(11-22-18-9-8-16(28-12-21)10-19(18)27-3)20(25)24(23-13)14-4-6-15(26-2)7-5-14/h4-11,22H,1-3H3