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

Systemtic Name: 2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-allyl-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(5-chloro-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H21ClN4O2S/c1-2-12-28-22(20-14-17-13-18(24)8-9-19(17)30-20)26-27-23(28)31-15-21(29)25-11-10-16-6-4-3-5-7-16/h2-9,13-14H,1,10-12,15H2,(H,25,29)