ethyl 4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoate

Systemtic Name: ethyl 4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoate Openeye Name: ethyl 4-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]benzoate CAS Name: 4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoate Traditional Name: 4-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]benzoic acid ethyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=S)NN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=S)NN=C2

InChI

InChI=1S/C12H12N4O2S/c1-2-18-11(17)8-3-5-9(6-4-8)14-10-7-13-16-12(19)15-10/h3-7H,2H2,1H3,(H2,14,15,16,19)