(4E)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(isopropylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(isopropylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-4-7-13-12(10-18-11(2)3)16(22)21(20-13)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-11,18H,4,7H2,1-3H3/b12-10+