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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(p-tolyl)-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(p-tolyl)-5-(2-thenyl)-1,2,4-triazole Formula: C21H18BrN3S2 MolecularWeight: 456.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C21H18BrN3S2/c1-15-4-10-18(11-5-15)25-20(13-19-3-2-12-26-19)23-24-21(25)27-14-16-6-8-17(22)9-7-16/h2-12H,13-14H2,1H3