1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]propan-1-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O3S/c1-12-18(14(3)25)13(2)23-19(12)20(26)15(4)28-17-8-7-16(11-22-17)21(27)24-9-5-6-10-24/h7-8,11,15,23H,5-6,9-10H2,1-4H3