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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-4-(2-methoxyphenyl)-1,2,4-triazole Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NN=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C17H16BrN3O2S/c1-22-15-8-7-13(18)9-12(15)10-24-17-20-19-11-21(17)14-5-3-4-6-16(14)23-2/h3-9,11H,10H2,1-2H3