(5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile

Systemtic Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile Openeye Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile CAS Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile IUPAC Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile Traditional Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarbonitrile Formula: C17H14N2S MolecularWeight: 278.37146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C(CC2=C(S1)C3=CC=CC=C3)C#N)C#N

Isomeric SMILES

CC1=C2C[C@H]([C@@H](CC2=C(S1)C3=CC=CC=C3)C#N)C#N

InChI

InChI=1S/C17H14N2S/c1-11-15-7-13(9-18)14(10-19)8-16(15)17(20-11)12-5-3-2-4-6-12/h2-6,13-14H,7-8H2,1H3/t13-,14-/m0/s1