ethyl 4-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoate

Systemtic Name: ethyl 4-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoate Openeye Name: ethyl 4-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxo-pyrazol-4-ylidene)hydrazino]benzoate CAS Name: 4-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxo-4-pyrazolylidene)hydrazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid ethyl ester Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C(=S)N)C

InChI

InChI=1S/C14H15N5O3S/c1-3-22-13(21)9-4-6-10(7-5-9)16-17-11-8(2)18-19(12(11)20)14(15)23/h4-7,16H,3H2,1-2H3,(H2,15,23)/b17-11+