3-[(3-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-phenyl-4-(p-tolyl)-1,2,4-triazole Formula: C22H18BrN3S MolecularWeight: 436.36742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H18BrN3S/c1-16-10-12-20(13-11-16)26-21(18-7-3-2-4-8-18)24-25-22(26)27-15-17-6-5-9-19(23)14-17/h2-14H,15H2,1H3