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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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