4-butyl-5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-one

Systemtic Name: 4-butyl-5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-one Openeye Name: 4-butyl-5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-one CAS Name: 4-butyl-5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-one IUPAC Name: 4-butyl-5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-one Traditional Name: 4-butyl-5-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrazolin-3-one Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC3=C(S2)C=C(C=C3)C)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC3=C(S2)C=C(C=C3)C)C

InChI

InChI=1S/C16H19N3OS/c1-4-5-6-12-11(3)18-19(15(12)20)16-17-13-8-7-10(2)9-14(13)21-16/h7-9,18H,4-6H2,1-3H3