2-cyanobutan-2-yl benzenecarbodithioate

Systemtic Name: 2-cyanobutan-2-yl benzenecarbodithioate Openeye Name: (1-cyano-1-methyl-propyl) benzenecarbodithioate CAS Name: benzenecarbodithioic acid 2-cyanobutan-2-yl ester IUPAC Name: 2-cyanobutan-2-yl benzenecarbodithioate Traditional Name: benzenecarbodithioic acid (1-cyano-1-methyl-propyl) ester Formula: C12H13NS2 MolecularWeight: 235.36832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#N)SC(=S)C1=CC=CC=C1

Isomeric SMILES

CCC(C)(C#N)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C12H13NS2/c1-3-12(2,9-13)15-11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3