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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C21H22BrN3O3S/c1-5-10-25-20(15-8-6-7-9-17(15)26-2)23-24-21(25)29-13-14-11-19(28-4)16(22)12-18(14)27-3/h5-9,11-12H,1,10,13H2,2-4H3