1-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-(2-furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(2-furfuryl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=N3

InChI

InChI=1S/C18H20N4O2S/c1-18(2,3)15(23)12-25-17-21-20-16(14-8-4-5-9-19-14)22(17)11-13-7-6-10-24-13/h4-10H,11-12H2,1-3H3