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

Systemtic Name: 2-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C26H15N3O4S2 MolecularWeight: 497.545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H15N3O4S2/c30-24-19-9-4-10-21(29(32)33)23(19)25(31)28(24)17-11-12-20-22(13-17)35-26(27-20)34-14-16-7-3-6-15-5-1-2-8-18(15)16/h1-13H,14H2