[(2Z,4S)-2-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]-5-cyano-4H-1,3-dithiin-4-yl]azanium

Systemtic Name: [(2Z,4S)-2-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]-5-cyano-4H-1,3-dithiin-4-yl]azanium Openeye Name: [(2Z,4S)-5-cyano-2-(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)-4H-1,3-dithiin-4-yl]ammonium CAS Name: [(2Z,4S)-5-cyano-2-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)-4H-1,3-dithiin-4-yl]ammonium IUPAC Name: [(2Z,4S)-5-cyano-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-4H-1,3-dithiin-4-yl]azanium Traditional Name: [(2Z,4S)-5-cyano-2-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)-4H-1,3-dithiin-4-yl]ammonium Formula: C14H11N4O2S2+ MolecularWeight: 331.39274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C3SC=C(C(S3)[NH3+])C#N)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C\3/SC=C([C@H](S3)[NH3+])C#N)/C(=O)N2

InChI

InChI=1S/C14H10N4O2S2/c15-6-8-7-21-14(22-11(8)16)10-12(19)17-18(13(10)20)9-4-2-1-3-5-9/h1-5,7,11H,16H2,(H,17,19)/p+1/b14-10-/t11-/m0/s1