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

Systemtic Name: methyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=NN=C2SC)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=NN=C2SC)N

InChI

InChI=1S/C13H15N5O3S/c1-21-11(20)8-5-3-4-6-9(8)15-10(19)7-18-12(14)16-17-13(18)22-2/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,19)