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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C17H16BrClN4O2S MolecularWeight: 455.75654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl)OC)Br

InChI

InChI=1S/C17H16BrClN4O2S/c1-24-14-8-13(18)15(25-2)7-11(14)9-26-17-22-21-16(23(17)20)10-3-5-12(19)6-4-10/h3-8H,9,20H2,1-2H3