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

Systemtic Name: butyl 4-[(E)-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate Openeye Name: butyl 4-[(E)-(5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(E)-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(5-keto-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid butyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C=NN2C(=O)C=NNC2=S

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)/C=N/N2C(=O)C=NNC2=S

InChI

InChI=1S/C15H16N4O3S/c1-2-3-8-22-14(21)12-6-4-11(5-7-12)9-17-19-13(20)10-16-18-15(19)23/h4-7,9-10H,2-3,8H2,1H3,(H,18,23)/b17-9+