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

Systemtic Name: 1-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

InChI

InChI=1S/C19H20BrN3O2S/c1-19(2,3)15(24)12-26-18-22-21-17(14-9-10-16(20)25-14)23(18)11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3