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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3OS/c1-16-3-11-20(12-4-16)27-22(18-7-13-21(28-2)14-8-18)25-26-23(27)29-15-17-5-9-19(24)10-6-17/h3-14H,15H2,1-2H3