3-methoxy-7-phenyl-4-phenylmethoxy-2-sulfanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Systemtic Name: 3-methoxy-7-phenyl-4-phenylmethoxy-2-sulfanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Openeye Name: 4-benzyloxy-3-methoxy-7-phenyl-2-sulfanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile CAS Name: 2-mercapto-3-methoxy-7-phenyl-4-phenylmethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienecarbonitrile IUPAC Name: 3-methoxy-7-phenyl-4-phenylmethoxy-2-sulfanylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Traditional Name: 4-benzoxy-2-mercapto-3-methoxy-7-phenyl-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(=C1S)CC2(C#N)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1S)CC2(C#N)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

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