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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(2-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-o-phenetyl-1,2,4-triazol-4-yl]amine Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=C(C=C3Br)OCC)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=C(C=C3Br)OCC)OCC

InChI

InChI=1S/C21H25BrN4O3S/c1-4-27-17-10-8-7-9-15(17)20-24-25-21(26(20)23)30-13-14-11-18(28-5-2)19(29-6-3)12-16(14)22/h7-12H,4-6,13,23H2,1-3H3