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

Systemtic Name: 2-[2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(2-naphthyl)ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C27H15N3O5S2 MolecularWeight: 525.5551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)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=C2C=C(C=CC2=C1)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/C27H15N3O5S2/c31-22(17-9-8-15-4-1-2-5-16(15)12-17)14-36-27-28-20-11-10-18(13-23(20)37-27)29-25(32)19-6-3-7-21(30(34)35)24(19)26(29)33/h1-13H,14H2