1-[4,7-bis(2-methyl-2-sulfanyl-propyl)-1,4,7-triazonan-1-yl]-2-methyl-propane-2-thiol

Systemtic Name: 1-[4,7-bis(2-methyl-2-sulfanyl-propyl)-1,4,7-triazonan-1-yl]-2-methyl-propane-2-thiol Openeye Name: 1-[4,7-bis(2-methyl-2-sulfanyl-propyl)-1,4,7-triazonan-1-yl]-2-methyl-propane-2-thiol CAS Name: 1-[4,7-bis(2-mercapto-2-methylpropyl)-1,4,7-triazonan-1-yl]-2-methyl-2-propanethiol IUPAC Name: 1-[4,7-bis(2-methyl-2-sulfanylpropyl)-1,4,7-triazonan-1-yl]-2-methylpropane-2-thiol Traditional Name: 1-[4,7-bis(2-mercapto-2-methyl-propyl)-1,4,7-triazonan-1-yl]-2-methyl-propane-2-thiol Formula: C18H39N3S3 MolecularWeight: 393.71736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CCN(CC1)CC(C)(C)S)CC(C)(C)S)S

Isomeric SMILES

CC(C)(CN1CCN(CCN(CC1)CC(C)(C)S)CC(C)(C)S)S

InChI

InChI=1S/C18H39N3S3/c1-16(2,22)13-19-7-9-20(14-17(3,4)23)11-12-21(10-8-19)15-18(5,6)24/h22-24H,7-15H2,1-6H3