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

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-propyl-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(1-propyliminoethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propylcarbonimidoyl)-5-propyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-propyl-2-pyrazolin-3-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C(=NCCC)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NN(C(=O)[C@H]1C(=NCCC)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N4OS/c1-4-8-14-16(12(3)19-11-5-2)17(23)22(21-14)18-20-13-9-6-7-10-15(13)24-18/h6-7,9-10,16H,4-5,8,11H2,1-3H3/t16-/m0/s1