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

Systemtic Name: butyl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: butyl 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid butyl ester IUPAC Name: butyl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid butyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C=NN2C=NNC2=S

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-2-3-8-20-13(19)12-7-5-4-6-11(12)9-16-18-10-15-17-14(18)21/h4-7,9-10H,2-3,8H2,1H3,(H,17,21)/b16-9+