ethyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O2S/c1-2-18-10(17)9-5-3-4-8(6-9)7-19-12-14-11(13)15-16-12/h3-6H,2,7H2,1H3,(H3,13,14,15,16)