4-ethyl-3-[(4-iodophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(4-iodophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(4-iodophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-iodophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-iodophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-iodobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C17H16IN3S MolecularWeight: 421.29851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3S/c1-2-21-16(14-6-4-3-5-7-14)19-20-17(21)22-12-13-8-10-15(18)11-9-13/h3-11H,2,12H2,1H3