[6-(methylamino)-5-pyridin-3-yl-6-sulfanylidene-hexyl] methanesulfonate

Systemtic Name: [6-(methylamino)-5-pyridin-3-yl-6-sulfanylidene-hexyl] methanesulfonate Openeye Name: [6-(methylamino)-5-(3-pyridyl)-6-thioxo-hexyl] methanesulfonate CAS Name: methanesulfonic acid [6-(methylamino)-5-(3-pyridinyl)-6-sulfanylidenehexyl] ester IUPAC Name: [6-(methylamino)-5-pyridin-3-yl-6-sulfanylidenehexyl] methanesulfonate Traditional Name: methanesulfonic acid [6-(methylamino)-5-(3-pyridyl)-6-thioxo-hexyl] ester Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(CCCCOS(=O)(=O)C)C1=CN=CC=C1

Isomeric SMILES

CNC(=S)C(CCCCOS(=O)(=O)C)C1=CN=CC=C1

InChI

InChI=1S/C13H20N2O3S2/c1-14-13(19)12(11-6-5-8-15-10-11)7-3-4-9-18-20(2,16)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,14,19)