3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H25N3O3S/c1-6-11-25-21(16-7-9-18(26-3)10-8-16)23-24-22(25)29-14-17-13-20(28-5)19(27-4)12-15(17)2/h6-10,12-13H,1,11,14H2,2-5H3