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

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-phenyl-ethanethioic S-acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-phenyl-ethanethioic S-acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]-2-phenylethanethioic S-acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-phenylethanethioic S-acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-phenyl-thioacetic acid Formula: C17H17NOS3 MolecularWeight: 347.51798

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)N=C2CC=C(C=C2)C(C3=CC=CC=C3)C(=O)S

Isomeric SMILES

C1CSC(S1)/N=C/2\CC=C(C=C2)C(C3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C17H17NOS3/c19-16(20)15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)18-17-21-10-11-22-17/h1-8,15,17H,9-11H2,(H,19,20)/b18-14-