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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(2-thiophen-2-ylethylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-[2-(2-thienyl)ethylamino]ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(2-thiophen-2-ylethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(2-thiophen-2-ylethylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-[2-(2-thienyl)ethylamino]ethylidene]-2-pyrazolin-3-one Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCC2=CC=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCC2=CC=CS2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4OS2/c1-3-7-17-19(14(2)22-12-11-15-8-6-13-27-15)20(26)25(24-17)21-23-16-9-4-5-10-18(16)28-21/h4-6,8-10,13,22H,3,7,11-12H2,1-2H3/b19-14-