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

Systemtic Name: [4-[[(E)-(3-methyl-1-naphthalen-1-yl-5-oxidanylidene-pyrazol-4-ylidene)methyl]carbamoylamino]phenyl] thiocyanate Openeye Name: [4-[[(E)-[3-methyl-1-(1-naphthyl)-5-oxo-pyrazol-4-ylidene]methyl]carbamoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[[(E)-[3-methyl-1-(1-naphthalenyl)-5-oxo-4-pyrazolylidene]methyl]amino]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[(E)-(3-methyl-1-naphthalen-1-yl-5-oxopyrazol-4-ylidene)methyl]carbamoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[(E)-[5-keto-3-methyl-1-(1-naphthyl)-2-pyrazolin-4-ylidene]methyl]carbamoylamino]phenyl] ester Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=O)NC2=CC=C(C=C2)SC#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC(=O)NC2=CC=C(C=C2)SC#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H17N5O2S/c1-15-20(13-25-23(30)26-17-9-11-18(12-10-17)31-14-24)22(29)28(27-15)21-8-4-6-16-5-2-3-7-19(16)21/h2-13H,1H3,(H2,25,26,30)/b20-13+