3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-4-ethyl-5-(p-tolyl)-1,2,4-triazole Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18ClN3S/c1-3-22-17(14-10-8-13(2)9-11-14)20-21-18(22)23-12-15-6-4-5-7-16(15)19/h4-11H,3,12H2,1-2H3