1-[(4-methylphenyl)sulfanyl-phenyl-phenylselanyl-methyl]benzotriazole

Systemtic Name: 1-[(4-methylphenyl)sulfanyl-phenyl-phenylselanyl-methyl]benzotriazole Openeye Name: 1-[phenyl-phenylselanyl-(p-tolylsulfanyl)methyl]benzotriazole CAS Name: 1-[[(4-methylphenyl)thio]-phenyl-(phenylseleno)methyl]benzotriazole IUPAC Name: 1-[(4-methylphenyl)sulfanyl-phenyl-phenylselanylmethyl]benzotriazole Traditional Name: 1-[phenyl-(phenylseleno)-(p-tolylthio)methyl]benzotriazole Formula: C26H21N3SSe MolecularWeight: 486.49004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)(N3C4=CC=CC=C4N=N3)[Se]C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)(N3C4=CC=CC=C4N=N3)[Se]C5=CC=CC=C5

InChI

InChI=1S/C26H21N3SSe/c1-20-16-18-22(19-17-20)30-26(21-10-4-2-5-11-21,31-23-12-6-3-7-13-23)29-25-15-9-8-14-24(25)27-28-29/h2-19H,1H3