1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dihydrobenzofuran-5-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,3-dihydrobenzofuran-5-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-coumaran-5-yl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H13N3O2S2/c20-12(10-3-4-13-11(8-10)5-6-21-13)9-23-16-17-15(18-19-16)14-2-1-7-22-14/h1-4,7-8H,5-6,9H2,(H,17,18,19)