[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(4-pyrazol-1-ylphenyl)methanone Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4OS/c26-21(15-8-10-16(11-9-15)25-14-4-12-22-25)24-13-3-6-18(24)20-23-17-5-1-2-7-19(17)27-20/h1-2,4-5,7-12,14,18H,3,6,13H2/t18-/m0/s1