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

Systemtic Name: 4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Openeye Name: 4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate CAS Name: 4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate IUPAC Name: 4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Traditional Name: 4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-3-thiolate Formula: C18H17N2S- MolecularWeight: 293.40598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=NC(=C2C1)CCC3=CC=CC=C3)[S-])C#N

Isomeric SMILES

C1CCC2=C(C(=NC(=C2C1)CCC3=CC=CC=C3)[S-])C#N

InChI

InChI=1S/C18H18N2S/c19-12-16-14-8-4-5-9-15(14)17(20-18(16)21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21)/p-1