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

Systemtic Name: ethyl 4-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate CAS Name: 4-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]benzoate Traditional Name: 4-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]benzoic acid ethyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=NN=C2SCC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=NN=C2SCC)N

InChI

InChI=1S/C16H21N5O3S/c1-4-24-14(23)11-6-8-12(9-7-11)18-13(22)10(3)21-15(17)19-20-16(21)25-5-2/h6-10H,4-5H2,1-3H3,(H2,17,19)(H,18,22)