3-(3,5-dimethoxyphenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,5-dimethoxyphenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3,5-dimethoxyphenyl)-5-[(3,4-dimethylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,5-dimethoxyphenyl)-5-[(3,4-dimethylbenzyl)thio]-1,2,4-triazole Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC(=C3)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC(=C3)OC)OC)C

InChI

InChI=1S/C22H25N3O2S/c1-6-9-25-21(18-11-19(26-4)13-20(12-18)27-5)23-24-22(25)28-14-17-8-7-15(2)16(3)10-17/h6-8,10-13H,1,9,14H2,2-5H3