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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-methylpropylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(isobutylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-methylpropylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-methylpropylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(isobutylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-4-7-14-13(11-19-10-12(2)3)17(23)22(21-14)18-20-15-8-5-6-9-16(15)24-18/h5-6,8-9,11-12,19H,4,7,10H2,1-3H3/b13-11+