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

Systemtic Name: ethyl 2-[[4-phenyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenyl-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-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S2/c1-2-25-16(23)12-27-18-21-20-15(22(18)13-7-4-3-5-8-13)11-19-17(24)14-9-6-10-26-14/h3-10H,2,11-12H2,1H3,(H,19,24)