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

Systemtic Name: 1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CO2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CO2

InChI

InChI=1S/C13H17N3O2S/c1-13(2,3)10(17)8-19-12-15-14-11(16(12)4)9-6-5-7-18-9/h5-7H,8H2,1-4H3