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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H18BrN3OS/c1-12-6-4-5-7-14(12)17-20-21-18(22(17)2)24-11-13-8-9-16(23-3)15(19)10-13/h4-10H,11H2,1-3H3