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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,5-dimethoxyphenyl)-5-(o-anisylthio)-1,2,4-triazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-5-10-24-20(16-11-17(25-2)13-18(12-16)26-3)22-23-21(24)28-14-15-8-6-7-9-19(15)27-4/h5-9,11-13H,1,10,14H2,2-4H3