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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C19H20BrN3O3S/c1-5-7-23-18(14-6-8-26-12(14)2)21-22-19(23)27-11-13-9-16(24-3)17(25-4)10-15(13)20/h5-6,8-10H,1,7,11H2,2-4H3