2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(2-chloro-5-nitrophenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(2-chloro-5-nitro-benzyl)thio]-1,3-benzothiazole Formula: C14H9ClN2O2S2 MolecularWeight: 336.81646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN2O2S2/c15-11-6-5-10(17(18)19)7-9(11)8-20-14-16-12-3-1-2-4-13(12)21-14/h1-7H,8H2