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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NC2CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H16N4OS/c1-9(17-11-7-8-11)14-10(2)19-20(15(14)21)16-18-12-5-3-4-6-13(12)22-16/h3-6,11,17H,7-8H2,1-2H3