3-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[2-[(4-chlorophenyl)thio]ethylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H16ClN3S2 MolecularWeight: 361.91204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3S2/c1-12-2-4-13(5-3-12)16-19-17(21-20-16)23-11-10-22-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,20,21)