1-[2,5-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(2-methylaziridin-1-yl)propan-1-one

Systemtic Name: 1-[2,5-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(2-methylaziridin-1-yl)propan-1-one Openeye Name: 1-(2,5-dichloro-4-hexylsulfanyl-phenyl)-3-(2-methylaziridin-1-yl)propan-1-one CAS Name: 1-[2,5-dichloro-4-(hexylthio)phenyl]-3-(2-methyl-1-aziridinyl)-1-propanone IUPAC Name: 1-(2,5-dichloro-4-hexylsulfanylphenyl)-3-(2-methylaziridin-1-yl)propan-1-one Traditional Name: 1-[2,5-dichloro-4-(hexylthio)phenyl]-3-(2-methylethylenimin-1-yl)propan-1-one Formula: C18H25Cl2NOS MolecularWeight: 374.3682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25Cl2NOS/c1-3-4-5-6-9-23-18-11-15(19)14(10-16(18)20)17(22)7-8-21-12-13(21)2/h10-11,13H,3-9,12H2,1-2H3