S-(4-isothiocyanatophenyl) 4-cyanobenzenecarbothioate

Systemtic Name: S-(4-isothiocyanatophenyl) 4-cyanobenzenecarbothioate Openeye Name: S-(4-isothiocyanatophenyl) 4-cyanobenzenecarbothioate CAS Name: 4-cyanobenzenecarbothioic acid S-(4-isothiocyanatophenyl) ester IUPAC Name: S-(4-isothiocyanatophenyl) 4-cyanobenzenecarbothioate Traditional Name: 4-cyanothiobenzoic acid S-(4-isothiocyanatophenyl) ester Formula: C15H8N2OS2 MolecularWeight: 296.36682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)SC2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)SC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C15H8N2OS2/c16-9-11-1-3-12(4-2-11)15(18)20-14-7-5-13(6-8-14)17-10-19/h1-8H