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

Systemtic Name: methyl 2-[[4-phenyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S2/c1-24-15(22)11-26-17-20-19-14(21(17)12-6-3-2-4-7-12)10-18-16(23)13-8-5-9-25-13/h2-9H,10-11H2,1H3,(H,18,23)