ethyl 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate

Systemtic Name: ethyl 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: ethyl 4-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid ethyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=NNC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=NNC2=S

InChI

InChI=1S/C11H11N3O2S/c1-2-16-10(15)8-3-5-9(6-4-8)14-7-12-13-11(14)17/h3-7H,2H2,1H3,(H,13,17)