4-nitro-2-[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C29H17N3O5S2 MolecularWeight: 551.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H17N3O5S2/c33-24(19-11-9-18(10-12-19)17-5-2-1-3-6-17)16-38-29-30-22-14-13-20(15-25(22)39-29)31-27(34)21-7-4-8-23(32(36)37)26(21)28(31)35/h1-15H,16H2