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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CCC(C)C

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/h4-7,10,18H,8-9H2,1-3H3