2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(1-propyliminoethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propylcarbonimidoyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-12,18H,3,13H2,1-2H3