2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(p-tolylsulfanylmethyl)pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-methylphenyl)thio]methyl]-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[(p-tolylthio)methyl]pyrazol-3-olate Formula: C18H14N3OS2- MolecularWeight: 352.45326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=C2)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=C2)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3OS2/c1-12-6-8-14(9-7-12)23-11-13-10-17(22)21(20-13)18-19-15-4-2-3-5-16(15)24-18/h2-10,22H,11H2,1H3/p-1