methyl 2-(4-chloranylbutanoyl)-1-cyano-isoquinoline-1-carbodithioate

Systemtic Name: methyl 2-(4-chloranylbutanoyl)-1-cyano-isoquinoline-1-carbodithioate Openeye Name: methyl 2-(4-chlorobutanoyl)-1-cyano-isoquinoline-1-carbodithioate CAS Name: 2-(4-chloro-1-oxobutyl)-1-cyano-1-isoquinolinecarbodithioic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoyl)-1-cyanoisoquinoline-1-carbodithioate Traditional Name: 2-(4-chlorobutanoyl)-1-cyano-isoquinoline-1-carbodithioic acid methyl ester Formula: C16H15ClN2OS2 MolecularWeight: 350.8861

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1(C2=CC=CC=C2C=CN1C(=O)CCCCl)C#N

Isomeric SMILES

CSC(=S)C1(C2=CC=CC=C2C=CN1C(=O)CCCCl)C#N

InChI

InChI=1S/C16H15ClN2OS2/c1-22-15(21)16(11-18)13-6-3-2-5-12(13)8-10-19(16)14(20)7-4-9-17/h2-3,5-6,8,10H,4,7,9H2,1H3