(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(propylaminomethylidene)pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(propylaminomethylidene)pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(propylaminomethylene)pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(propylaminomethylidene)-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(propylaminomethylidene)pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(propylaminomethylene)-2-pyrazolin-3-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS/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/h3-11,13,21H,2,12H2,1H3/b15-13+