N-(1,3-benzothiazol-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C16H10F3N3O3S2 MolecularWeight: 413.39411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3N3O3S2/c17-16(18,19)9-5-6-13(11(7-9)22(24)25)26-8-14(23)21-15-20-10-3-1-2-4-12(10)27-15/h1-7H,8H2,(H,20,21,23)