ethyl (3E)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]butanoate

Systemtic Name: ethyl (3E)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]butanoate Openeye Name: ethyl (3E)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylhydrazono]butanoate CAS Name: (3E)-3-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]hydrazinylidene]butanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]butanoate Traditional Name: (3E)-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylhydrazono]butyric acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C

Isomeric SMILES

CCOC(=O)C/C(=N/NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/C

InChI

InChI=1S/C18H23N5O3S/c1-5-26-15(24)11-12(2)20-21-18(27)19-16-13(3)22(4)23(17(16)25)14-9-7-6-8-10-14/h6-10H,5,11H2,1-4H3,(H2,19,21,27)/b20-12+