2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C23H21BrN4O2S/c24-20-12-11-19(30-20)22-26-27-23(28(22)15-18-9-5-2-6-10-18)31-16-21(29)25-14-13-17-7-3-1-4-8-17/h1-12H,13-16H2,(H,25,29)