N-[5-azanyl-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]thiomorpholine-4-carboxamide

Systemtic Name: N-[5-azanyl-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]thiomorpholine-4-carboxamide Openeye Name: N-[5-amino-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]thiomorpholine-4-carboxamide CAS Name: N-[5-amino-1-(2-chlorophenyl)-3-phenyl-4-pyrazolyl]-4-thiomorpholinecarboxamide IUPAC Name: N-[5-amino-1-(2-chlorophenyl)-3-phenylpyrazol-4-yl]thiomorpholine-4-carboxamide Traditional Name: N-[5-amino-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]thiomorpholine-4-carboxamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)NC2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4Cl)N

Isomeric SMILES

C1CSCCN1C(=O)NC2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4Cl)N

InChI

InChI=1S/C20H20ClN5OS/c21-15-8-4-5-9-16(15)26-19(22)18(17(24-26)14-6-2-1-3-7-14)23-20(27)25-10-12-28-13-11-25/h1-9H,10-13,22H2,(H,23,27)