5-chloranyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3-benzothiazole Openeye Name: 5-chloro-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3-benzothiazole CAS Name: 5-chloro-2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3-benzothiazole IUPAC Name: 5-chloro-2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3-benzothiazole Traditional Name: 5-chloro-2-[(4-mesyl-2-nitro-phenyl)thio]-1,3-benzothiazole Formula: C14H9ClN2O4S3 MolecularWeight: 400.88026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O4S3/c1-24(20,21)9-3-5-13(11(7-9)17(18)19)23-14-16-10-6-8(15)2-4-12(10)22-14/h2-7H,1H3