3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-(2,5-dimethylphenyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-(2,5-dimethylphenyl)-1,2,4-triazole Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H16BrN3O2S/c1-11-3-4-12(2)15(5-11)22-9-20-21-18(22)25-8-13-6-16-17(7-14(13)19)24-10-23-16/h3-7,9H,8,10H2,1-2H3