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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-(3,4-dimethoxyphenyl)-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)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br)OC

InChI

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