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

Systemtic Name: ethyl 3-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C17H23N5O3S/c1-3-5-9-14-20-21-17(22(14)18)26-11-15(23)19-13-8-6-7-12(10-13)16(24)25-4-2/h6-8,10H,3-5,9,11,18H2,1-2H3,(H,19,23)