N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]pyrazole-4-carboxamide CAS Name: N-[[3-(4-morpholinyl)-3-thiolanyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]pyrazole-4-carboxamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1(CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1CSCC1(CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H26N4O2S/c25-19(18-12-22-24(14-18)13-17-4-2-1-3-5-17)21-15-20(6-11-27-16-20)23-7-9-26-10-8-23/h1-5,12,14H,6-11,13,15-16H2,(H,21,25)