3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-4-(m-tolyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-methyl-4-(m-tolyl)-1,2,4-triazole Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN3O2S2/c1-13-4-3-5-16(12-13)22-14(2)20-21-18(22)25-10-11-26(23,24)17-8-6-15(19)7-9-17/h3-9,12H,10-11H2,1-2H3