N-phenethyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-phenethyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-phenethyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-phenethyl-2-[[6-[4-(1-pyrazolyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-phenethyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-phenethyl-2-[[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]thio]acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H21N5OS/c29-22(24-15-13-18-5-2-1-3-6-18)17-30-23-12-11-21(26-27-23)19-7-9-20(10-8-19)28-16-4-14-25-28/h1-12,14,16H,13,15,17H2,(H,24,29)