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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

InChI

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