(4S)-2-(1,3-benzothiazol-2-yl)-4-(2-methoxyethyliminomethyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-methoxyethyliminomethyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-methoxyethyliminomethyl)-5-propyl-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-methoxyethyliminomethyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-methoxyethyliminomethyl)-5-propyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(2-methoxyethyliminomethyl)-5-propyl-2-pyrazolin-3-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-3-6-13-12(11-18-9-10-23-2)16(22)21(20-13)17-19-14-7-4-5-8-15(14)24-17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3/t12-/m0/s1