2-[(5S)-4-azanylidene-5-cyano-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl-(2-phenoxyethyl)azanium

Systemtic Name: 2-[(5S)-4-azanylidene-5-cyano-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl-(2-phenoxyethyl)azanium Openeye Name: 2-[(5S)-5-cyano-4-imino-2-thioxo-thiazolidin-3-yl]ethyl-(2-phenoxyethyl)ammonium CAS Name: 2-[(5S)-5-cyano-4-imino-2-sulfanylidene-3-thiazolidinyl]ethyl-(2-phenoxyethyl)ammonium IUPAC Name: 2-[(5S)-5-cyano-4-imino-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl-(2-phenoxyethyl)azanium Traditional Name: 2-[(5S)-5-cyano-4-imino-2-thioxo-thiazolidin-3-yl]ethyl-(2-phenoxyethyl)ammonium Formula: C14H17N4OS2+ MolecularWeight: 321.44098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC[NH2+]CCN2C(=N)C(SC2=S)C#N

Isomeric SMILES

C1=CC=C(C=C1)OCC[NH2+]CCN2C(=N)[C@@H](SC2=S)C#N

InChI

InChI=1S/C14H16N4OS2/c15-10-12-13(16)18(14(20)21-12)8-6-17-7-9-19-11-4-2-1-3-5-11/h1-5,12,16-17H,6-9H2/p+1/t12-/m0/s1