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

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]ethanethioic S-acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]ethanethioic S-acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]ethanethioic S-acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]ethanethioic S-acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]thioacetic acid Formula: C11H13NOS3 MolecularWeight: 271.42202

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)N=C2CC=C(C=C2)CC(=O)S

Isomeric SMILES

C1CSC(S1)/N=C/2\CC=C(C=C2)CC(=O)S

InChI

InChI=1S/C11H13NOS3/c13-10(14)7-8-1-3-9(4-2-8)12-11-15-5-6-16-11/h1-3,11H,4-7H2,(H,13,14)/b12-9-