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

Systemtic Name: 1-[(4-methoxyphenyl)-(4-methylphenyl)sulfanyl-phenylselanyl-methyl]benzotriazole Openeye Name: 1-[(4-methoxyphenyl)-phenylselanyl-(p-tolylsulfanyl)methyl]benzotriazole CAS Name: 1-[(4-methoxyphenyl)-[(4-methylphenyl)thio]-(phenylseleno)methyl]benzotriazole IUPAC Name: 1-[(4-methoxyphenyl)-(4-methylphenyl)sulfanyl-phenylselanylmethyl]benzotriazole Traditional Name: 1-[(4-methoxyphenyl)-(phenylseleno)-(p-tolylthio)methyl]benzotriazole Formula: C27H23N3OSSe MolecularWeight: 516.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3OSSe/c1-20-12-18-23(19-13-20)32-27(33-24-8-4-3-5-9-24,21-14-16-22(31-2)17-15-21)30-26-11-7-6-10-25(26)28-29-30/h3-19H,1-2H3