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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(pyridin-3-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(3-pyridylmethylamino)ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(3-pyridinylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(pyridin-3-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(3-pyridylmethylamino)ethylidene]-2-pyrazolin-3-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5OS/c1-3-7-17-19(14(2)23-13-15-8-6-11-22-12-15)20(27)26(25-17)21-24-16-9-4-5-10-18(16)28-21/h4-6,8-12,23H,3,7,13H2,1-2H3/b19-14-