5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]-1-pyrrolidinyl]-2-methyl-3-pyridazinone IUPAC Name: 5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidino]-2-methyl-pyridazin-3-one Formula: C15H24N4OS2 MolecularWeight: 340.50726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCC(C2)CNC3CSCCSC3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[C@@H](C2)CNC3CSCCSC3

InChI

InChI=1S/C15H24N4OS2/c1-18-15(20)6-14(8-17-18)19-3-2-12(9-19)7-16-13-10-21-4-5-22-11-13/h6,8,12-13,16H,2-5,7,9-11H2,1H3/t12-/m1/s1