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

Systemtic Name: methyl 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=CN2N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=CN2N

InChI

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