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

Systemtic Name: [4-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-3-methylphenyl] ester IUPAC Name: [4-[[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-methyl-phenyl] ester Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H15ClN4OS/c1-12-9-16(26-11-21)7-8-18(12)22-10-17-13(2)23-24(19(17)25)15-5-3-14(20)4-6-15/h3-10,22H,1-2H3