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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-methyl-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-4-methyl-5-(m-tolyl)-1,2,4-triazole Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S2/c1-13-4-3-5-14(12-13)17-20-21-18(22(17)2)25-10-11-26(23,24)16-8-6-15(19)7-9-16/h3-9,12H,10-11H2,1-2H3