2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]butanethioic S-acid

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]butanethioic S-acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]butanethioic S-acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]butanethioic S-acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]butanethioic S-acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]thiobutyric acid Formula: C13H17NOS3 MolecularWeight: 299.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CCC(=NC2SCCS2)C=C1)C(=O)S

Isomeric SMILES

CCC(C1=CC/C(=N\C2SCCS2)/C=C1)C(=O)S

InChI

InChI=1S/C13H17NOS3/c1-2-11(12(15)16)9-3-5-10(6-4-9)14-13-17-7-8-18-13/h3-5,11,13H,2,6-8H2,1H3,(H,15,16)/b14-10-