methyl 1-cyano-2-(diphenylcarbamoyl)isoquinoline-1-carbodithioate

Systemtic Name: methyl 1-cyano-2-(diphenylcarbamoyl)isoquinoline-1-carbodithioate Openeye Name: methyl 1-cyano-2-(diphenylcarbamoyl)isoquinoline-1-carbodithioate CAS Name: 1-cyano-2-[oxo-(N-phenylanilino)methyl]-1-isoquinolinecarbodithioic acid methyl ester IUPAC Name: methyl 1-cyano-2-(diphenylcarbamoyl)isoquinoline-1-carbodithioate Traditional Name: 1-cyano-2-(diphenylcarbamoyl)isoquinoline-1-carbodithioic acid methyl ester Formula: C25H19N3OS2 MolecularWeight: 441.56786

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1(C2=CC=CC=C2C=CN1C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC(=S)C1(C2=CC=CC=C2C=CN1C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H19N3OS2/c1-31-23(30)25(18-26)22-15-9-8-10-19(22)16-17-27(25)24(29)28(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-17H,1H3