(2S,3S)-N,N-diethyl-2-methylsulfanyl-1-oxidanidyl-3,4-diphenyl-3H-azet-1-ium-2-carboxamide

Systemtic Name: (2S,3S)-N,N-diethyl-2-methylsulfanyl-1-oxidanidyl-3,4-diphenyl-3H-azet-1-ium-2-carboxamide Openeye Name: (2S,3S)-N,N-diethyl-2-methylsulfanyl-1-oxido-3,4-diphenyl-3H-azet-1-ium-2-carboxamide CAS Name: (2S,3S)-N,N-diethyl-2-(methylthio)-1-oxido-3,4-diphenyl-3H-azet-1-ium-2-carboxamide IUPAC Name: (2S,3S)-N,N-diethyl-2-methylsulfanyl-1-oxido-3,4-diphenyl-3H-azet-1-ium-2-carboxamide Traditional Name: (2S,3S)-N,N-diethyl-2-(methylthio)-1-oxido-3,4-diphenyl-3H-azet-1-ium-2-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1(C(C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCN(CC)C(=O)[C@]1([C@H](C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H24N2O2S/c1-4-22(5-2)20(24)21(26-3)18(16-12-8-6-9-13-16)19(23(21)25)17-14-10-7-11-15-17/h6-15,18H,4-5H2,1-3H3/t18-,21-/m0/s1