1,5-bis(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)pentane-1,5-dione

Systemtic Name: 1,5-bis(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)pentane-1,5-dione Openeye Name: 1,5-bis(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)pentane-1,5-dione CAS Name: 1,5-bis(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)pentane-1,5-dione IUPAC Name: 1,5-bis(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)pentane-1,5-dione Traditional Name: 1,5-bis(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)pentane-1,5-dione Formula: C25H17N3O4S2 MolecularWeight: 487.55018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)CC(CC(=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)CC(CC(=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4S2/c29-20(24-26-18-5-1-3-7-22(18)33-24)13-16(15-9-11-17(12-10-15)28(31)32)14-21(30)25-27-19-6-2-4-8-23(19)34-25/h1-12,16H,13-14H2