2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(3-pyridylmethyl)carbonimidoyl]pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-pyridinylmethylimino)ethyl]-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(3-pyridylmethyl)carbonimidoyl]pyrazol-3-olate Formula: C19H16N5OS- MolecularWeight: 362.42824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NCC2=CN=CC=C2)C)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1C(=NCC2=CN=CC=C2)C)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N5OS/c1-12(21-11-14-6-5-9-20-10-14)17-13(2)23-24(18(17)25)19-22-15-7-3-4-8-16(15)26-19/h3-10,25H,11H2,1-2H3/p-1