[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl] thiocyanate

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl] thiocyanate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]phenyl] ester Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C19H17N5OS2/c1-13-17(18(25)24(23(13)2)15-6-4-3-5-7-15)22-19(26)21-14-8-10-16(11-9-14)27-12-20/h3-11H,1-2H3,(H2,21,22,26)