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

Systemtic Name: 3-ethylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-ethylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(ethylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(ethylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2S/c1-2-21-18-16(12-19)14-10-6-7-11-15(14)17(20-18)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-11H2,1H3