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

Systemtic Name: propyl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c1-2-7-19-12(18)11-6-4-3-5-10(11)8-15-17-9-14-16-13(17)20/h3-6,8-9H,2,7H2,1H3,(H,16,20)/b15-8+