(4-chloranylsulfanylphenyl) 10-(1,3-benzothiazol-2-yl)-1H-acridine-9-carboxylate

Systemtic Name: (4-chloranylsulfanylphenyl) 10-(1,3-benzothiazol-2-yl)-1H-acridine-9-carboxylate Openeye Name: (4-chlorosulfanylphenyl) 10-(1,3-benzothiazol-2-yl)-1H-acridine-9-carboxylate CAS Name: 10-(1,3-benzothiazol-2-yl)-1H-acridine-9-carboxylic acid [4-(chlorothio)phenyl] ester IUPAC Name: (4-chlorosulfanylphenyl) 10-(1,3-benzothiazol-2-yl)-1H-acridine-9-carboxylate Traditional Name: 10-(1,3-benzothiazol-2-yl)-1H-acridine-9-carboxylic acid [4-(chlorothio)phenyl] ester Formula: C27H17ClN2O2S2 MolecularWeight: 501.01908

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C2C1=C(C3=CC=CC=C3N2C4=NC5=CC=CC=C5S4)C(=O)OC6=CC=C(C=C6)SCl

Isomeric SMILES

C1C=CC=C2C1=C(C3=CC=CC=C3N2C4=NC5=CC=CC=C5S4)C(=O)OC6=CC=C(C=C6)SCl

InChI

InChI=1S/C27H17ClN2O2S2/c28-34-18-15-13-17(14-16-18)32-26(31)25-19-7-1-4-10-22(19)30(23-11-5-2-8-20(23)25)27-29-21-9-3-6-12-24(21)33-27/h1-7,9-16H,8H2