3-(cyanomethylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(cyanomethylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(cyanomethylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(cyanomethylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(cyanomethylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(cyanomethylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H15N3S MolecularWeight: 305.3968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3S/c19-10-11-22-18-16(12-20)14-8-4-5-9-15(14)17(21-18)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-9,11H2