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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromo-4-methoxy-benzyl)thio]-5-o-phenetyl-1,2,4-triazole Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-4-12-25-20(16-8-6-7-9-18(16)27-5-2)23-24-21(25)28-14-15-10-11-19(26-3)17(22)13-15/h4,6-11,13H,1,5,12,14H2,2-3H3