ethyl 2-[[4-butyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-butyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-butyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-butyl-5-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-butyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-butyl-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OCC)CNC(=O)C2=CC=CS2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OCC)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C16H22N4O3S2/c1-3-5-8-20-13(10-17-15(22)12-7-6-9-24-12)18-19-16(20)25-11-14(21)23-4-2/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,17,22)