2-[4-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-amino-4-phenyl-imidazol-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-amino-4-phenyl-2-imidazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-amino-4-phenylimidazol-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-amino-4-phenyl-imidazol-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C21H20N4O2S/c22-25-14-18(15-8-2-1-3-9-15)23-21(25)28-13-7-6-12-24-19(26)16-10-4-5-11-17(16)20(24)27/h1-5,8-11,14H,6-7,12-13,22H2