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

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=C(OC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=C(OC=C3)C

InChI

InChI=1S/C17H17N3O2S/c1-11-4-6-13(7-5-11)15(21)10-23-17-19-18-16(20(17)3)14-8-9-22-12(14)2/h4-9H,10H2,1-3H3