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

Systemtic Name: 5-(2-bromophenyl)-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[(2-methoxy-5-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[(2-methoxy-5-methyl-benzyl)thio]-1H-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrN3OS/c1-11-7-8-15(22-2)12(9-11)10-23-17-19-16(20-21-17)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,20,21)