(3S)-3-(benzotriazol-1-yl)-2-[2-(2,5-dimethylphenyl)sulfanylethyl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(2,5-dimethylphenyl)sulfanylethyl]-3H-isoindol-1-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(2,5-dimethylphenyl)sulfanylethyl]isoindolin-1-one CAS Name: (3S)-3-(1-benzotriazolyl)-2-[2-[(2,5-dimethylphenyl)thio]ethyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(2,5-dimethylphenyl)sulfanylethyl]-3H-isoindol-1-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-2-[2-[(2,5-dimethylphenyl)thio]ethyl]isoindolin-1-one Formula: C24H22N4OS MolecularWeight: 414.52268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4OS/c1-16-11-12-17(2)22(15-16)30-14-13-27-23(18-7-3-4-8-19(18)24(27)29)28-21-10-6-5-9-20(21)25-26-28/h3-12,15,23H,13-14H2,1-2H3/t23-/m0/s1