[4-[[(E)-(3-methyl-1-naphthalen-1-yl-5-oxidanylidene-pyrazol-4-ylidene)methyl]amino]-2-nitro-phenyl] thiocyanate

Systemtic Name: [4-[[(E)-(3-methyl-1-naphthalen-1-yl-5-oxidanylidene-pyrazol-4-ylidene)methyl]amino]-2-nitro-phenyl] thiocyanate Openeye Name: [4-[[(E)-[3-methyl-1-(1-naphthyl)-5-oxo-pyrazol-4-ylidene]methyl]amino]-2-nitro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(E)-[3-methyl-1-(1-naphthalenyl)-5-oxo-4-pyrazolylidene]methyl]amino]-2-nitrophenyl] ester IUPAC Name: [4-[[(E)-(3-methyl-1-naphthalen-1-yl-5-oxopyrazol-4-ylidene)methyl]amino]-2-nitrophenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[(E)-[5-keto-3-methyl-1-(1-naphthyl)-2-pyrazolin-4-ylidene]methyl]amino]-2-nitro-phenyl] ester Formula: C22H15N5O3S MolecularWeight: 429.4512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC(=C(C=C2)SC#N)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H15N5O3S/c1-14-18(12-24-16-9-10-21(31-13-23)20(11-16)27(29)30)22(28)26(25-14)19-8-4-6-15-5-2-3-7-17(15)19/h2-12,24H,1H3/b18-12+