(4R)-2-(1,3-benzothiazol-2-yl)-4-(cyclohexyliminomethyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(cyclohexyliminomethyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(cyclohexyliminomethyl)-5-propyl-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(cyclohexyliminomethyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(cyclohexyliminomethyl)-5-propyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(cyclohexyliminomethyl)-5-propyl-2-pyrazolin-3-one Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NC2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NC2CCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4OS/c1-2-8-16-15(13-21-14-9-4-3-5-10-14)19(25)24(23-16)20-22-17-11-6-7-12-18(17)26-20/h6-7,11-15H,2-5,8-10H2,1H3/t15-/m1/s1