3-[(2-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2-bromobenzyl)thio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20BrN3OS/c1-13(2)23-18(14-8-10-16(24-3)11-9-14)21-22-19(23)25-12-15-6-4-5-7-17(15)20/h4-11,13H,12H2,1-3H3