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

Systemtic Name: ethyl 4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: ethyl 4-[(5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[(5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzoic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C=NNC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C=NNC2=S

InChI

InChI=1S/C12H13N3O2S/c1-2-17-11(16)10-5-3-9(4-6-10)7-15-8-13-14-12(15)18/h3-6,8H,2,7H2,1H3,(H,14,18)