2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-6-[4-(1,2,3,4-tetrazol-1-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-6-[4-(1,2,3,4-tetrazol-1-ylmethoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropylphenyl)sulfanyl-6-[4-(tetrazol-1-ylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-[(2-propan-2-ylphenyl)thio]-6-[4-(1-tetrazolylmethoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-(2-propan-2-ylphenyl)sulfanyl-6-[4-(tetrazol-1-ylmethoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(o-cumenylthio)-6-[4-(tetrazol-1-ylmethoxy)phenyl]pyran-4-one Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCN4C=NN=N4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCN4C=NN=N4)O

InChI

InChI=1S/C22H20N4O4S/c1-14(2)17-5-3-4-6-20(17)31-21-18(27)11-19(30-22(21)28)15-7-9-16(10-8-15)29-13-26-12-23-24-25-26/h3-12,14,28H,13H2,1-2H3