3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C17H15BrN4O3S MolecularWeight: 435.295

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H15BrN4O3S/c1-23-12-4-2-10(3-5-12)16-20-21-17(22(16)19)26-8-11-6-14-15(7-13(11)18)25-9-24-14/h2-7H,8-9,19H2,1H3