(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl thiocyanate

Systemtic Name: (4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl thiocyanate Openeye Name: (4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]methyl ester IUPAC Name: (4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]methyl ester Formula: C14H15N3S2 MolecularWeight: 289.419

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCSC#N)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCSC#N)C#N

InChI

InChI=1S/C14H15N3S2/c1-2-13-11-6-4-3-5-10(11)12(7-15)14(17-13)19-9-18-8-16/h2-6,9H2,1H3