[2-(6-methylpyridin-3-yl)-2-oxidanyl-ethyl]carbamothioylsulfanyl N-[2-(6-methylpyridin-3-yl)-2-oxidanyl-ethyl]carbamodithioate

Systemtic Name: [2-(6-methylpyridin-3-yl)-2-oxidanyl-ethyl]carbamothioylsulfanyl N-[2-(6-methylpyridin-3-yl)-2-oxidanyl-ethyl]carbamodithioate Openeye Name: [2-hydroxy-2-(6-methyl-3-pyridyl)ethyl]carbamothioylsulfanyl N-[2-hydroxy-2-(6-methyl-3-pyridyl)ethyl]carbamodithioate CAS Name: N-[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]carbamodithioic acid [[[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]amino]-sulfanylidenemethyl]thio] ester IUPAC Name: [2-hydroxy-2-(6-methylpyridin-3-yl)ethyl]carbamothioylsulfanyl N-[2-hydroxy-2-(6-methylpyridin-3-yl)ethyl]carbamodithioate Traditional Name: N-[2-hydroxy-2-(6-methyl-3-pyridyl)ethyl]carbamodithioic acid [[2-hydroxy-2-(6-methyl-3-pyridyl)ethyl]thiocarbamoylthio] ester Formula: C18H22N4O2S4 MolecularWeight: 454.65288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(CNC(=S)SSC(=S)NCC(C2=CN=C(C=C2)C)O)O

Isomeric SMILES

CC1=NC=C(C=C1)C(CNC(=S)SSC(=S)NCC(C2=CN=C(C=C2)C)O)O

InChI

InChI=1S/C18H22N4O2S4/c1-11-3-5-13(7-19-11)15(23)9-21-17(25)27-28-18(26)22-10-16(24)14-6-4-12(2)20-8-14/h3-8,15-16,23-24H,9-10H2,1-2H3,(H,21,25)(H,22,26)