(7S)-3-ethyl-8-oxidanylidene-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: (7S)-3-ethyl-8-oxidanylidene-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: (7S)-3-ethyl-8-oxo-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: (7S)-3-ethyl-10-mercapto-8-oxo-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: (7S)-3-ethyl-8-oxo-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: (7S)-3-ethyl-8-keto-10-mercapto-9-aza-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2(CC1)C(C(=O)NC(=C2C#N)S)C#N

Isomeric SMILES

CC[NH+]1CCC2(CC1)[C@H](C(=O)NC(=C2C#N)S)C#N

InChI

InChI=1S/C13H16N4OS/c1-2-17-5-3-13(4-6-17)9(7-14)11(18)16-12(19)10(13)8-15/h9,19H,2-6H2,1H3,(H,16,18)/p+1/t9-/m0/s1