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

Systemtic Name: ethyl 4-[2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H24N4O3S/c1-4-6-7-15-20-18(22-21-15)26-12(3)16(23)19-14-10-8-13(9-11-14)17(24)25-5-2/h8-12H,4-7H2,1-3H3,(H,19,23)(H,20,21,22)