(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4OS/c1-4-6-12-20-13(3)17-15(9-5-2)22-23(18(17)24)19-21-14-10-7-8-11-16(14)25-19/h7-8,10-11,20H,4-6,9,12H2,1-3H3/b17-13-