3-phenethyl-6-phenyl-2-(2H-pyran-3-ylsulfanylmethyl)cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 3-phenethyl-6-phenyl-2-(2H-pyran-3-ylsulfanylmethyl)cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 3-phenethyl-6-phenyl-2-(2H-pyran-3-ylsulfanylmethyl)cyclohexa-1,3-diene-1-carbonitrile CAS Name: 3-phenethyl-6-phenyl-2-[(2H-pyran-3-ylthio)methyl]-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 3-phenethyl-6-phenyl-2-(2H-pyran-3-ylsulfanylmethyl)cyclohexa-1,3-diene-1-carbonitrile Traditional Name: 3-phenethyl-6-phenyl-2-[(2H-pyran-3-ylthio)methyl]cyclohexa-1,3-diene-1-carbonitrile Formula: C27H25NOS MolecularWeight: 411.5585

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=C(C1C2=CC=CC=C2)C#N)CSC3=CC=COC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C=C(C(=C(C1C2=CC=CC=C2)C#N)CSC3=CC=COC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25NOS/c28-18-26-25(22-10-5-2-6-11-22)16-15-23(14-13-21-8-3-1-4-9-21)27(26)20-30-24-12-7-17-29-19-24/h1-12,15,17,25H,13-14,16,19-20H2