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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-thiophen-2-ylethylamino)ethylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[2-(2-thienyl)ethylamino]ethylidene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-thiophen-2-ylethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-thiophen-2-ylethylamino)ethylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[2-(2-thienyl)ethylamino]ethylidene]-2-pyrazolin-3-one Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC2=CC=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4OS2/c1-12(20-10-9-14-6-5-11-25-14)17-13(2)22-23(18(17)24)19-21-15-7-3-4-8-16(15)26-19/h3-8,11,20H,9-10H2,1-2H3/b17-12+