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

Systemtic Name: 3-(4-bromophenyl)-5-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-bromophenyl)-5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-[(3,4-dimethoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-bromophenyl)-5-(veratrylthio)-1,2,4-triazole Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H20BrN3O2S/c1-4-11-24-19(15-6-8-16(21)9-7-15)22-23-20(24)27-13-14-5-10-17(25-2)18(12-14)26-3/h4-10,12H,1,11,13H2,2-3H3