2-oxidanyl-3-phenethylsulfanyl-6-[4-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[4-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]pyran-4-one Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=NNN=N4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=NNN=N4)O

InChI

InChI=1S/C21H18N4O4S/c26-17-12-18(15-6-8-16(9-7-15)28-13-19-22-24-25-23-19)29-21(27)20(17)30-11-10-14-4-2-1-3-5-14/h1-9,12,27H,10-11,13H2,(H,22,23,24,25)