3-ethylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-ethylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-ethylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(ethylthio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(ethylthio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C13H16N2S MolecularWeight: 232.34454

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C2CCCCC2=C1C#N)C

Isomeric SMILES

CCSC1=NC(=C2CCCCC2=C1C#N)C

InChI

InChI=1S/C13H16N2S/c1-3-16-13-12(8-14)11-7-5-4-6-10(11)9(2)15-13/h3-7H2,1-2H3