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

Systemtic Name: methyl 3-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate Openeye Name: methyl 3-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate CAS Name: 3-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate Traditional Name: 3-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)N

InChI

InChI=1S/C15H19N5O3S/c1-4-24-15-19-18-14(16)20(15)9(2)12(21)17-11-7-5-6-10(8-11)13(22)23-3/h5-9H,4H2,1-3H3,(H2,16,18)(H,17,21)