2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C20H21BrN4O2S MolecularWeight: 461.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-14(19(26)24-11-5-6-12-24)28-20-23-22-18(16-9-10-17(21)27-16)25(20)13-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3