4-[5-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-bromo-4,5-diethoxyphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(2-bromo-4,5-diethoxy-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2C)C3=CC=NC=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2C)C3=CC=NC=C3)Br)OCC

InChI

InChI=1S/C19H21BrN4O2S/c1-4-25-16-10-14(15(20)11-17(16)26-5-2)12-27-19-23-22-18(24(19)3)13-6-8-21-9-7-13/h6-11H,4-5,12H2,1-3H3