ethyl 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H15N3O3S2/c1-2-23-17(22)15-12(11-6-3-4-7-13(11)24-15)10-26-18-19-16(20-21-18)14-8-5-9-25-14/h3-9H,2,10H2,1H3,(H,19,20,21)