2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(3-methyl-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S/c1-3-15-28-23(22-17(2)19-11-7-8-12-20(19)30-22)26-27-24(28)31-16-21(29)25-14-13-18-9-5-4-6-10-18/h3-12H,1,13-16H2,2H3,(H,25,29)