(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/C

InChI

InChI=1S/C21H20N4OS/c1-3-13-22-14(2)18-19(15-9-5-4-6-10-15)24-25(20(18)26)21-23-16-11-7-8-12-17(16)27-21/h4-12,22H,3,13H2,1-2H3/b18-14+