[[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]methylene-dimethyl-ammonium CAS Name: [[2-(1,3-benzothiazol-2-yl)-4-cyano-3-pyrazolyl]amino]methylidene-dimethylammonium IUPAC Name: [[2-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-3-yl]amino]methylidene-dimethylazanium Traditional Name: [[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]methylene-dimethyl-ammonium Formula: C14H13N6S+ MolecularWeight: 297.35822

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CNC1=C(C=NN1C2=NC3=CC=CC=C3S2)C#N)C

Isomeric SMILES

C[N+](=CNC1=C(C=NN1C2=NC3=CC=CC=C3S2)C#N)C

InChI

InChI=1S/C14H12N6S/c1-19(2)9-16-13-10(7-15)8-17-20(13)14-18-11-5-3-4-6-12(11)21-14/h3-6,8-9H,1-2H3/p+1