3-(furan-2-ylmethylsulfanyl)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-(2-furylmethylsulfanyl)-5-(o-tolylmethyl)-1H-1,2,4-triazole CAS Name: 3-(2-furanylmethylthio)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(furan-2-ylmethylsulfanyl)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(2-furfurylthio)-5-(2-methylbenzyl)-1H-1,2,4-triazole Formula: C15H15N3OS MolecularWeight: 285.3641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CC=CO3

InChI

InChI=1S/C15H15N3OS/c1-11-5-2-3-6-12(11)9-14-16-15(18-17-14)20-10-13-7-4-8-19-13/h2-8H,9-10H2,1H3,(H,16,17,18)