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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2-pyrazolin-3-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-4-8-14-16(12(3)19-11-5-2)17(23)22(21-14)18-20-13-9-6-7-10-15(13)24-18/h6-7,9-10,19H,4-5,8,11H2,1-3H3/b16-12-