4-[1,1-bis(oxidanylidene)-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl]-N-(phenylmethyl)butan-1-imine oxide

Systemtic Name: 4-[1,1-bis(oxidanylidene)-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl]-N-(phenylmethyl)butan-1-imine oxide Openeye Name: N-benzyl-4-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl)butan-1-imine oxide CAS Name: 4-[1,1-dioxo-4-(phenylthio)-2,5-dihydrothiophen-2-yl]-N-(phenylmethyl)-1-butanimine oxide IUPAC Name: N-benzyl-4-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl)butan-1-imine oxide Traditional Name: N-benzyl-4-[1,1-diketo-4-(phenylthio)-2,5-dihydrothiophen-2-yl]butan-1-imine oxide Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(S1(=O)=O)CCCC=[N+](CC2=CC=CC=C2)[O-])SC3=CC=CC=C3

Isomeric SMILES

C1C(=CC(S1(=O)=O)CCC/C=[N+](\CC2=CC=CC=C2)/[O-])SC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3S2/c23-22(16-18-9-3-1-4-10-18)14-8-7-13-21-15-20(17-27(21,24)25)26-19-11-5-2-6-12-19/h1-6,9-12,14-15,21H,7-8,13,16-17H2/b22-14+