4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4OCC)O

InChI

InChI=1S/C21H20N4O4S/c1-3-13-9-15-14(10-20(27)29-19(15)11-17(13)26)12-30-21-22-23-24-25(21)16-7-5-6-8-18(16)28-4-2/h5-11,26H,3-4,12H2,1-2H3