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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

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