4-[benzotriazol-1-yl-(4-methylphenyl)sulfanyl-phenylselanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[benzotriazol-1-yl-(4-methylphenyl)sulfanyl-phenylselanyl-methyl]benzenecarbonitrile Openeye Name: 4-[benzotriazol-1-yl-phenylselanyl-(p-tolylsulfanyl)methyl]benzonitrile CAS Name: 4-[1-benzotriazolyl-[(4-methylphenyl)thio]-(phenylseleno)methyl]benzonitrile IUPAC Name: 4-[benzotriazol-1-yl-(4-methylphenyl)sulfanyl-phenylselanylmethyl]benzonitrile Traditional Name: 4-[benzotriazol-1-yl-(phenylseleno)-(p-tolylthio)methyl]benzonitrile Formula: C27H20N4SSe MolecularWeight: 511.4995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N4SSe/c1-20-11-17-23(18-12-20)32-27(33-24-7-3-2-4-8-24,22-15-13-21(19-28)14-16-22)31-26-10-6-5-9-25(26)29-30-31/h2-18H,1H3