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

Systemtic Name: [(4R)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]methylideneazanium Openeye Name: [(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methyleneammonium CAS Name: [(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneammonium IUPAC Name: [(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneazanium Traditional Name: [(4R)-1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-yl]methyleneammonium Formula: C17H13N4OS+ MolecularWeight: 321.37632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2C=[NH2+])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)[C@@H]2C=[NH2+])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H12N4OS/c18-10-12-15(11-6-2-1-3-7-11)20-21(16(12)22)17-19-13-8-4-5-9-14(13)23-17/h1-10,12,18H/p+1/t12-/m1/s1