[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylideneazanium

Systemtic Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylideneazanium Openeye Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]methyleneammonium CAS Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylideneammonium IUPAC Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylideneazanium Traditional Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-yl]methyleneammonium Formula: C12H8F3N4OS+ MolecularWeight: 313.27833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(C(=N3)C(F)(F)F)C=[NH2+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)[C@H](C(=N3)C(F)(F)F)C=[NH2+]

InChI

InChI=1S/C12H7F3N4OS/c13-12(14,15)9-6(5-16)10(20)19(18-9)11-17-7-3-1-2-4-8(7)21-11/h1-6,16H/p+1/t6-/m0/s1