3-(furan-2-yl)-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-furyl)-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(2-methoxy-5-methylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(furan-2-yl)-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-furyl)-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazole Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H21N3O2S/c1-16-10-11-19(26-2)18(13-16)15-28-22-24-23-21(20-9-6-12-27-20)25(22)14-17-7-4-3-5-8-17/h3-13H,14-15H2,1-2H3