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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methyl-carbonimidoyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methyl-carbonimidoyl)-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1-cyclopropyliminoethyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methylcarbonimidoyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methyl-carbonimidoyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(=NC1CC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4OS/c1-13(22-15-11-12-15)18-19(14-7-3-2-4-8-14)24-25(20(18)26)21-23-16-9-5-6-10-17(16)27-21/h2-10,15,18H,11-12H2,1H3