(3R)-3-(benzotriazol-1-yl)-2-[2-(4-chlorophenyl)sulfanylethyl]-3H-isoindol-1-one

Systemtic Name: (3R)-3-(benzotriazol-1-yl)-2-[2-(4-chlorophenyl)sulfanylethyl]-3H-isoindol-1-one Openeye Name: (3R)-3-(benzotriazol-1-yl)-2-[2-(4-chlorophenyl)sulfanylethyl]isoindolin-1-one CAS Name: (3R)-3-(1-benzotriazolyl)-2-[2-[(4-chlorophenyl)thio]ethyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-(benzotriazol-1-yl)-2-[2-(4-chlorophenyl)sulfanylethyl]-3H-isoindol-1-one Traditional Name: (3R)-3-(benzotriazol-1-yl)-2-[2-[(4-chlorophenyl)thio]ethyl]isoindolin-1-one Formula: C22H17ClN4OS MolecularWeight: 420.91458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CCSC3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](N(C2=O)CCSC3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H17ClN4OS/c23-15-9-11-16(12-10-15)29-14-13-26-21(17-5-1-2-6-18(17)22(26)28)27-20-8-4-3-7-19(20)24-25-27/h1-12,21H,13-14H2/t21-/m1/s1