3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazole Formula: C19H18BrN3S MolecularWeight: 400.33532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3CC3C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C19H18BrN3S/c1-23-18(17-11-16(17)14-5-3-2-4-6-14)21-22-19(23)24-12-13-7-9-15(20)10-8-13/h2-10,16-17H,11-12H2,1H3