(3S)-3-(benzotriazol-1-yl)-2-[2-(4-methylphenyl)sulfanylethyl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(4-methylphenyl)sulfanylethyl]-3H-isoindol-1-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(p-tolylsulfanyl)ethyl]isoindolin-1-one CAS Name: (3S)-3-(1-benzotriazolyl)-2-[2-[(4-methylphenyl)thio]ethyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(4-methylphenyl)sulfanylethyl]-3H-isoindol-1-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(p-tolylthio)ethyl]isoindolin-1-one Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2[C@H](C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H20N4OS/c1-16-10-12-17(13-11-16)29-15-14-26-22(18-6-2-3-7-19(18)23(26)28)27-21-9-5-4-8-20(21)24-25-27/h2-13,22H,14-15H2,1H3/t22-/m0/s1