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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=NN=C2SC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=NN=C2SC)N

InChI

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