3-[1-[5-(4-ethylsulfanylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1-[5-(4-ethylsulfanylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-ethylsulfanylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[[4-(ethylthio)phenyl]-oxomethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-ethylsulfanylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[5-[4-(ethylthio)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3

InChI

InChI=1S/C19H19N3O2S/c1-3-25-14-6-4-13(5-7-14)19(24)17-9-8-15(20-17)12(2)16-10-11-18(23)22-21-16/h4-12,20H,3H2,1-2H3,(H,22,23)