(4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthalenylmethyl)-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)-2-pyrazolin-3-one Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N3OS/c1-14-18(13-16-9-6-8-15-7-2-3-10-17(15)16)21(26)25(24-14)22-23-19-11-4-5-12-20(19)27-22/h2-12,18H,13H2,1H3/t18-/m1/s1