[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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