3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2S/c1-11-4-6-12(7-5-11)17-21-22-18(23(17)20)26-10-13-8-15(24-2)16(25-3)9-14(13)19/h4-9H,10,20H2,1-3H3