2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1,3-benzothiazole IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]-1,3-benzothiazole Formula: C14H7F3N2O4S3 MolecularWeight: 420.40659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H7F3N2O4S3/c15-14(16,17)26(22,23)8-5-6-12(10(7-8)19(20)21)25-13-18-9-3-1-2-4-11(9)24-13/h1-7H