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

Systemtic Name: 4-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-7-13-14-11(15(7)12)18-6-8-2-4-9(5-3-8)10(16)17/h2-5H,6,12H2,1H3,(H,16,17)/p-1