2-(2-chloranyl-4-nitro-phenyl)-1,3-benzothiazole; 2-(3-nitrophenyl)-1,3-benzothiazole

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)-1,3-benzothiazole; 2-(3-nitrophenyl)-1,3-benzothiazole Openeye Name: 2-(2-chloro-4-nitro-phenyl)-1,3-benzothiazole; 2-(3-nitrophenyl)-1,3-benzothiazole CAS Name: 2-(2-chloro-4-nitrophenyl)-1,3-benzothiazole; 2-(3-nitrophenyl)-1,3-benzothiazole IUPAC Name: 2-(2-chloro-4-nitrophenyl)-1,3-benzothiazole; 2-(3-nitrophenyl)-1,3-benzothiazole Traditional Name: 2-(2-chloro-4-nitro-phenyl)-1,3-benzothiazole; 2-(3-nitrophenyl)-1,3-benzothiazole Formula: C26H15ClN4O4S2 MolecularWeight: 547.0047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)[N+](=O)[O-].C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)[N+](=O)[O-].C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H7ClN2O2S.C13H8N2O2S/c14-10-7-8(16(17)18)5-6-9(10)13-15-11-3-1-2-4-12(11)19-13;16-15(17)10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)18-13/h1-7H;1-8H