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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-propyl-carbonimidoyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-propyl-carbonimidoyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-propyliminoethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-propylcarbonimidoyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-propyl-carbonimidoyl)-2-pyrazolin-3-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS/c1-4-9-17-10(2)14-11(3)19-20(15(14)21)16-18-12-7-5-6-8-13(12)22-16/h5-8,14H,4,9H2,1-3H3