4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate

Systemtic Name: 4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Openeye Name: 4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate CAS Name: 4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate IUPAC Name: 4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Traditional Name: 4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Formula: C11H11N2S- MolecularWeight: 203.28344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)[S-])C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)[S-])C#N

InChI

InChI=1S/C11H12N2S/c1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7/h2-5H2,1H3,(H,13,14)/p-1