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

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-5-phenyl-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-5-11-24-20(16-9-7-6-8-10-16)22-23-21(24)27-14-17-13-19(26-4)18(25-3)12-15(17)2/h5-10,12-13H,1,11,14H2,2-4H3