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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-isopentyl-5-methyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-isoamyl-5-methyl-pyrazol-3-olate Formula: C16H18N3OS- MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(C)C)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NN(C(=C1CCC(C)C)[O-])C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19N3OS/c1-10(2)8-9-12-11(3)18-19(15(12)20)16-17-13-6-4-5-7-14(13)21-16/h4-7,10,20H,8-9H2,1-3H3/p-1