[(1R,2R)-3,3,4,4-tetracyano-2-phenyl-cyclopentyl] 4-methoxybenzenecarbodithioate

Systemtic Name: [(1R,2R)-3,3,4,4-tetracyano-2-phenyl-cyclopentyl] 4-methoxybenzenecarbodithioate Openeye Name: [(1R,2R)-3,3,4,4-tetracyano-2-phenyl-cyclopentyl] 4-methoxybenzenecarbodithioate CAS Name: 4-methoxybenzenecarbodithioic acid [(1R,2R)-3,3,4,4-tetracyano-2-phenylcyclopentyl] ester IUPAC Name: [(1R,2R)-3,3,4,4-tetracyano-2-phenylcyclopentyl] 4-methoxybenzenecarbodithioate Traditional Name: 4-methoxybenzenecarbodithioic acid [(1R,2R)-3,3,4,4-tetracyano-2-phenyl-cyclopentyl] ester Formula: C23H16N4OS2 MolecularWeight: 428.52934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)SC2CC(C(C2C3=CC=CC=C3)(C#N)C#N)(C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)S[C@@H]2CC(C([C@H]2C3=CC=CC=C3)(C#N)C#N)(C#N)C#N

InChI

InChI=1S/C23H16N4OS2/c1-28-18-9-7-17(8-10-18)21(29)30-19-11-22(12-24,13-25)23(14-26,15-27)20(19)16-5-3-2-4-6-16/h2-10,19-20H,11H2,1H3/t19-,20+/m1/s1