7-nitro-2-oxidanylidene-N-phenethyl-5-(trifluoromethyl)-1,3-benzothiazole-3-carboxamide

Systemtic Name: 7-nitro-2-oxidanylidene-N-phenethyl-5-(trifluoromethyl)-1,3-benzothiazole-3-carboxamide Openeye Name: 7-nitro-2-oxo-N-phenethyl-5-(trifluoromethyl)-1,3-benzothiazole-3-carboxamide CAS Name: 7-nitro-2-oxo-N-phenethyl-5-(trifluoromethyl)-1,3-benzothiazole-3-carboxamide IUPAC Name: 7-nitro-2-oxo-N-phenethyl-5-(trifluoromethyl)-1,3-benzothiazole-3-carboxamide Traditional Name: 2-keto-7-nitro-N-phenethyl-5-(trifluoromethyl)-1,3-benzothiazole-3-carboxamide Formula: C17H12F3N3O4S MolecularWeight: 411.35509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])SC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])SC2=O

InChI

InChI=1S/C17H12F3N3O4S/c18-17(19,20)11-8-12-14(13(9-11)23(26)27)28-16(25)22(12)15(24)21-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,24)