(phenylmethyl) 1-cyano-2-(phenylcarbonyl)isoquinoline-1-carbodithioate

Systemtic Name: (phenylmethyl) 1-cyano-2-(phenylcarbonyl)isoquinoline-1-carbodithioate Openeye Name: benzyl 2-benzoyl-1-cyano-isoquinoline-1-carbodithioate CAS Name: 2-benzoyl-1-cyano-1-isoquinolinecarbodithioic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzoyl-1-cyanoisoquinoline-1-carbodithioate Traditional Name: 2-benzoyl-1-cyano-isoquinoline-1-carbodithioic acid benzyl ester Formula: C25H18N2OS2 MolecularWeight: 426.55322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H18N2OS2/c26-18-25(24(29)30-17-19-9-3-1-4-10-19)22-14-8-7-11-20(22)15-16-27(25)23(28)21-12-5-2-6-13-21/h1-16H,17H2