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

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C23H21BrN4O2S/c1-3-11-28-22(20-13-17-12-18(24)9-10-19(17)30-20)26-27-23(28)31-14-21(29)25-15(2)16-7-5-4-6-8-16/h3-10,12-13,15H,1,11,14H2,2H3,(H,25,29)