2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthalenylmethyl)-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)pyrazol-3-olate Formula: C22H16N3OS- MolecularWeight: 370.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=CC3=CC=CC=C32)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=CC3=CC=CC=C32)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N3OS/c1-14-18(13-16-9-6-8-15-7-2-3-10-17(15)16)21(26)25(24-14)22-23-19-11-4-5-12-20(19)27-22/h2-12,26H,13H2,1H3/p-1