2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(prop-2-enylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(prop-2-enylamino)methylidene]pyrazol-3-one Openeye Name: 4-[(allylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(prop-2-enylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(prop-2-enylamino)methylidene]pyrazol-3-one Traditional Name: 4-[(allylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-2-pyrazolin-3-one Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C=CCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4OS/c1-2-12-21-13-15-18(14-8-4-3-5-9-14)23-24(19(15)25)20-22-16-10-6-7-11-17(16)26-20/h2-11,13,21H,1,12H2