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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(o-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(2-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromo-4-methoxy-benzyl)thio]-5-(o-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C17H17BrN4OS/c1-11-5-3-4-6-13(11)16-20-21-17(22(16)19)24-10-12-7-8-15(23-2)14(18)9-12/h3-9H,10,19H2,1-2H3