S-ethyl 1-cyano-1-methylsulfanylcarbothioyl-isoquinoline-2-carbothioate

Systemtic Name: S-ethyl 1-cyano-1-methylsulfanylcarbothioyl-isoquinoline-2-carbothioate Openeye Name: S-ethyl 1-cyano-1-methylsulfanylcarbothioyl-isoquinoline-2-carbothioate CAS Name: 1-cyano-1-[(methylthio)-sulfanylidenemethyl]-2-isoquinolinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 1-cyano-1-methylsulfanylcarbothioylisoquinoline-2-carbothioate Traditional Name: 1-cyano-1-(methylthio)carbothioyl-isoquinoline-2-carbothioic acid S-ethyl ester Formula: C15H14N2OS3 MolecularWeight: 334.47946

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1C=CC2=CC=CC=C2C1(C#N)C(=S)SC

Isomeric SMILES

CCSC(=O)N1C=CC2=CC=CC=C2C1(C#N)C(=S)SC

InChI

InChI=1S/C15H14N2OS3/c1-3-21-14(18)17-9-8-11-6-4-5-7-12(11)15(17,10-16)13(19)20-2/h4-9H,3H2,1-2H3