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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(phenethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(phenethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(phenethylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(phenethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(phenethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-2-8-18-17(15-23-14-13-16-9-4-3-5-10-16)21(27)26(25-18)22-24-19-11-6-7-12-20(19)28-22/h3-7,9-12,15,23H,2,8,13-14H2,1H3/b17-15-