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

Systemtic Name: ethyl 4-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]acetyl]amino]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)CN2C(=NN=C2SCC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC)N

InChI

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