3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C18H17BrN4O2S/c1-11-2-4-12(5-3-11)17-21-22-18(23(17)20)26-10-13-8-15-16(9-14(13)19)25-7-6-24-15/h2-5,8-9H,6-7,10,20H2,1H3