2-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-14-18(13-15-7-3-2-4-8-15)23-21(22-14)27-12-11-24-19(25)16-9-5-6-10-17(16)20(24)26/h2-10H,11-13H2,1H3,(H,22,23)