3-[(4-iodophenyl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C17H16IN3S/c1-21-16(11-13-5-3-2-4-6-13)19-20-17(21)22-12-14-7-9-15(18)10-8-14/h2-10H,11-12H2,1H3