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

Systemtic Name: methyl 3-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate Openeye Name: methyl 3-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate CAS Name: 3-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate Traditional Name: 3-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N2C(=NN=C2SC)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N2C(=NN=C2SC)N

InChI

InChI=1S/C14H17N5O3S/c1-8(19-13(15)17-18-14(19)23-3)11(20)16-10-6-4-5-9(7-10)12(21)22-2/h4-8H,1-3H3,(H2,15,17)(H,16,20)