(4S)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one

Systemtic Name: (4S)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one Openeye Name: (4S)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one CAS Name: (4S)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one IUPAC Name: (4S)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one Traditional Name: (5S)-5-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-2-imidazolin-1-ium-4-one Formula: C17H11F3N5O3S+ MolecularWeight: 422.36115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(C(=O)N2)(C(F)(F)F)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+][C@@](C(=O)N2)(C(F)(F)F)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10F3N5O3S/c18-17(19,20)16(14(26)22-13(23-16)9-4-2-1-3-5-9)24-15-21-11-7-6-10(25(27)28)8-12(11)29-15/h1-8H,(H,21,24)(H,22,23,26)/p+1/t16-/m1/s1