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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(m-tolyl)-4-propyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-(m-tolyl)-4-propyl-1,2,4-triazole Formula: C20H22BrN3O2S2 MolecularWeight: 480.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H22BrN3O2S2/c1-3-11-24-19(16-6-4-5-15(2)14-16)22-23-20(24)27-12-13-28(25,26)18-9-7-17(21)8-10-18/h4-10,14H,3,11-13H2,1-2H3