2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(2-methylpropylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(2-methylpropylamino)methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(isobutylamino)methylene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(2-methylpropylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(2-methylpropylamino)methylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(isobutylamino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N4OS/c1-10(2)8-17-9-12-11(3)19-20(15(12)21)16-18-13-6-4-5-7-14(13)22-16/h4-7,9-10,17H,8H2,1-3H3