(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(tert-butylamino)ethylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(tert-butylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(tert-butylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(tert-butylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(tert-butylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(tert-butylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NC(C)(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N4OS/c1-10(19-17(3,4)5)14-11(2)20-21(15(14)22)16-18-12-8-6-7-9-13(12)23-16/h6-9,19H,1-5H3/b14-10+