3-methoxy-4-phenylmethoxy-7-phenylsulfanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Systemtic Name: 3-methoxy-4-phenylmethoxy-7-phenylsulfanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Openeye Name: 4-benzyloxy-3-methoxy-7-phenylsulfanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile CAS Name: 3-methoxy-4-phenylmethoxy-7-(phenylthio)-7-bicyclo[4.2.0]octa-1,3,5-trienecarbonitrile IUPAC Name: 3-methoxy-4-phenylmethoxy-7-phenylsulfanylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Traditional Name: 4-benzoxy-3-methoxy-7-(phenylthio)bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC2(C#N)SC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)CC2(C#N)SC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19NO2S/c1-25-21-12-18-14-23(16-24,27-19-10-6-3-7-11-19)20(18)13-22(21)26-15-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3