4-[6-(4-cyanophenoxy)-4,5-bis(oxidanyl)-7-(phenylmethyl)thiepan-3-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[6-(4-cyanophenoxy)-4,5-bis(oxidanyl)-7-(phenylmethyl)thiepan-3-yl]oxybenzenecarbonitrile Openeye Name: 4-[7-benzyl-6-(4-cyanophenoxy)-4,5-dihydroxy-thiepan-3-yl]oxybenzonitrile CAS Name: 4-[[6-(4-cyanophenoxy)-4,5-dihydroxy-7-(phenylmethyl)-3-thiepanyl]oxy]benzonitrile IUPAC Name: 4-[7-benzyl-6-(4-cyanophenoxy)-4,5-dihydroxythiepan-3-yl]oxybenzonitrile Traditional Name: 4-[7-benzyl-6-(4-cyanophenoxy)-4,5-dihydroxy-thiepan-3-yl]oxybenzonitrile Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C(S1)CC2=CC=CC=C2)OC3=CC=C(C=C3)C#N)O)O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(C(C(C(C(S1)CC2=CC=CC=C2)OC3=CC=C(C=C3)C#N)O)O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H24N2O4S/c28-15-19-6-10-21(11-7-19)32-23-17-34-24(14-18-4-2-1-3-5-18)27(26(31)25(23)30)33-22-12-8-20(16-29)9-13-22/h1-13,23-27,30-31H,14,17H2