3-[1-(4-methyl-5-thiophen-2-ylcarbonyl-1H-pyrrol-2-yl)ethyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1-(4-methyl-5-thiophen-2-ylcarbonyl-1H-pyrrol-2-yl)ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[4-methyl-5-(thiophene-2-carbonyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[4-methyl-5-[oxo(thiophen-2-yl)methyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[4-methyl-5-(thiophene-2-carbonyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[4-methyl-5-(2-thenoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(C)C2=NNC(=O)C=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1)C(C)C2=NNC(=O)C=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H15N3O2S/c1-9-8-12(10(2)11-5-6-14(20)19-18-11)17-15(9)16(21)13-4-3-7-22-13/h3-8,10,17H,1-2H3,(H,19,20)