2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-1H-quinazolin-4-one Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4O3S2/c23-18-14-5-1-2-6-15(14)20-16(21-18)12-26-17-8-7-13(11-19-17)27(24,25)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,21,23)