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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2C)C3=CC=CC=C3OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2C)C3=CC=CC=C3OC)Br)OCC

InChI

InChI=1S/C21H24BrN3O3S/c1-5-27-18-11-14(16(22)12-19(18)28-6-2)13-29-21-24-23-20(25(21)3)15-9-7-8-10-17(15)26-4/h7-12H,5-6,13H2,1-4H3