(4S)-2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-2-pyrazolin-3-one Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5OS/c1-4-10-17-16(15-22-13-9-14-25(5-2)6-3)20(27)26(24-17)21-23-18-11-7-8-12-19(18)28-21/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3/t16-/m0/s1