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

Systemtic Name: 3-phenethylsulfanyl-6-[4-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]pyran-2-one Openeye Name: 3-phenethylsulfanyl-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]pyran-2-one CAS Name: 3-(phenethylthio)-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-2-pyranone IUPAC Name: 3-phenethylsulfanyl-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]pyran-2-one Traditional Name: 3-(phenethylthio)-6-[4-(2H-tetrazol-5-ylmethoxy)phenyl]pyran-2-one Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=CC=C(OC2=O)C3=CC=C(C=C3)OCC4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=CC=C(OC2=O)C3=CC=C(C=C3)OCC4=NNN=N4

InChI

InChI=1S/C21H18N4O3S/c26-21-19(29-13-12-15-4-2-1-3-5-15)11-10-18(28-21)16-6-8-17(9-7-16)27-14-20-22-24-25-23-20/h1-11H,12-14H2,(H,22,23,24,25)