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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H24N4OS/c1-3-4-5-6-9-12-20-13-15-14(2)22-23(18(15)24)19-21-16-10-7-8-11-17(16)25-19/h7-8,10-11,13,20H,3-6,9,12H2,1-2H3