N-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-morpholin-4-yl-butanethioamide

Systemtic Name: N-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-morpholin-4-yl-butanethioamide Openeye Name: N-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-morpholino-butanethioamide CAS Name: N-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-4-(4-morpholinyl)butanethioamide IUPAC Name: N-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-4-morpholin-4-ylbutanethioamide Traditional Name: N-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-morpholino-thiobutyramide Formula: C23H25ClN4OS MolecularWeight: 440.9888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC(=S)NC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCC(=S)NC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4OS/c24-19-10-8-18(9-11-19)23-21(17-28(26-23)20-5-2-1-3-6-20)25-22(30)7-4-12-27-13-15-29-16-14-27/h1-3,5-6,8-11,17H,4,7,12-16H2,(H,25,30)