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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CC=C3OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CC=C3OC)Br)OCC

InChI

InChI=1S/C20H23BrN4O3S/c1-4-27-17-10-13(15(21)11-18(17)28-5-2)12-29-20-24-23-19(25(20)22)14-8-6-7-9-16(14)26-3/h6-11H,4-5,12,22H2,1-3H3