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

Systemtic Name: ethyl 2-[[4-phenethyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenethyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenethyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N4O3S2/c1-2-27-18(25)14-29-20-23-22-17(13-21-19(26)16-9-6-12-28-16)24(20)11-10-15-7-4-3-5-8-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,21,26)