1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholin-4-ylpentylsulfanyl)phenyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholin-4-ylpentylsulfanyl)phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholinopentylsulfanyl)phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[5-(4-morpholinyl)pentylthio]phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholin-4-ylpentylsulfanyl)phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholinopentylthio)phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C27H30ClN5O2S MolecularWeight: 524.0774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)SCCCCCN4CCOCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)SCCCCCN4CCOCC4)C#N

InChI

InChI=1S/C27H30ClN5O2S/c1-20-25(19-30-33(20)24-8-5-22(28)6-9-24)27(34)31-23-7-10-26(21(17-23)18-29)36-16-4-2-3-11-32-12-14-35-15-13-32/h5-10,17,19H,2-4,11-16H2,1H3,(H,31,34)