1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)-3-(2-methylaziridin-1-yl)propan-1-one

Systemtic Name: 1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)-3-(2-methylaziridin-1-yl)propan-1-one Openeye Name: 1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)-3-(2-methylaziridin-1-yl)propan-1-one CAS Name: 1-[4-(hexylthio)-2,6-dimethylphenyl]-3-(2-methyl-1-aziridinyl)-1-propanone IUPAC Name: 1-(4-hexylsulfanyl-2,6-dimethylphenyl)-3-(2-methylaziridin-1-yl)propan-1-one Traditional Name: 1-[4-(hexylthio)-2,6-dimethyl-phenyl]-3-(2-methylethylenimin-1-yl)propan-1-one Formula: C20H31NOS MolecularWeight: 333.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C)C(=O)CCN2CC2C)C

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C)C(=O)CCN2CC2C)C

InChI

InChI=1S/C20H31NOS/c1-5-6-7-8-11-23-18-12-15(2)20(16(3)13-18)19(22)9-10-21-14-17(21)4/h12-13,17H,5-11,14H2,1-4H3