2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-(4-mesylphenyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H17N3O4S2 MolecularWeight: 391.46458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O4S2/c1-11-14(8-9-24-11)16-18-19-17(20(16)2)25-10-15(21)12-4-6-13(7-5-12)26(3,22)23/h4-9H,10H2,1-3H3