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

Systemtic Name: 3-[1-[5-(4-chlorophenyl)carbonyl-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-chlorobenzoyl)-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-(methylthio)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-chlorobenzoyl)-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[5-(4-chlorobenzoyl)-4-(methylthio)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=O)C=C1)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC(C1=NNC(=O)C=C1)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C18H16ClN3O2S/c1-10(13-7-8-16(23)22-21-13)14-9-15(25-2)17(20-14)18(24)11-3-5-12(19)6-4-11/h3-10,20H,1-2H3,(H,22,23)