3-(4-chlorophenyl)-4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-ethyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3S/c1-2-21-16(14-8-10-15(18)11-9-14)19-20-17(21)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3