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

Systemtic Name: butyl 4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-2-3-8-20-13(19)10-4-6-11(7-5-10)16-12-9-15-18-14(21)17-12/h4-7,9H,2-3,8H2,1H3,(H2,16,17,18,21)