3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2C)C3CC3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2C)C3CC3)Br)OCC

InChI

InChI=1S/C17H22BrN3O2S/c1-4-22-14-8-12(13(18)9-15(14)23-5-2)10-24-17-20-19-16(21(17)3)11-6-7-11/h8-9,11H,4-7,10H2,1-3H3