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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-4-9-16-18(14(3)21-12-8-13-26-5-2)19(25)24(23-16)20-22-15-10-6-7-11-17(15)27-20/h6-7,10-11,21H,4-5,8-9,12-13H2,1-3H3/b18-14-