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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-3-pyrazolin-3-one Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C15H17N3OS/c1-3-4-7-11-10(2)17-18(14(11)19)15-16-12-8-5-6-9-13(12)20-15/h5-6,8-9,17H,3-4,7H2,1-2H3