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

Systemtic Name: methyl 3-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S/c1-20-11(19)8-3-2-4-9(5-8)15-10(18)6-21-12-16-14-7-17(12)13/h2-5,7H,6,13H2,1H3,(H,15,18)