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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(tetrahydrofuran-2-ylmethylamino)ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-oxolanylmethylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(tetrahydrofurfurylamino)ethylidene]-2-pyrazolin-3-one Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2CCCO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCC2CCCO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O2S/c1-3-7-16-18(13(2)21-12-14-8-6-11-26-14)19(25)24(23-16)20-22-15-9-4-5-10-17(15)27-20/h4-5,9-10,14,21H,3,6-8,11-12H2,1-2H3/b18-13-