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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,4-dimethoxyphenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,4-dimethoxyphenyl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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