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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br

InChI

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