(4E)-2-(1,3-benzothiazol-2-yl)-4-[(morpholin-4-ylamino)methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(morpholin-4-ylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(morpholinoamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-morpholinylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(morpholin-4-ylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(morpholinoamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1N/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5O2S/c27-20-16(14-22-25-10-12-28-13-11-25)19(15-6-2-1-3-7-15)24-26(20)21-23-17-8-4-5-9-18(17)29-21/h1-9,14,22H,10-13H2/b16-14+