[4-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-nitro-phenyl] thiocyanate

Systemtic Name: [4-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-nitro-phenyl] thiocyanate Openeye Name: [4-[[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-2-nitro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-2-nitrophenyl] ester IUPAC Name: [4-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-2-nitrophenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-2-nitro-phenyl] ester Formula: C18H12ClN5O3S MolecularWeight: 413.83758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H12ClN5O3S/c1-11-15(18(25)23(22-11)14-4-2-3-12(19)7-14)9-21-13-5-6-17(28-10-20)16(8-13)24(26)27/h2-9,21H,1H3