3-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-3-(2-furyl)-1-(p-tolylsulfonyl)-1,2,4-triazole CAS Name: 3-(2-furanyl)-1-(4-methylphenyl)sulfonyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-3-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole Traditional Name: 5-(benzylthio)-3-(2-furyl)-1-tosyl-1,2,4-triazole Formula: C20H17N3O3S2 MolecularWeight: 411.49728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S2/c1-15-9-11-17(12-10-15)28(24,25)23-20(27-14-16-6-3-2-4-7-16)21-19(22-23)18-8-5-13-26-18/h2-13H,14H2,1H3