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

Systemtic Name: 4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4OCC

InChI

InChI=1S/C21H20N4O3S/c1-3-14-9-10-16-15(12-20(26)28-19(16)11-14)13-29-21-22-23-24-25(21)17-7-5-6-8-18(17)27-4-2/h5-12H,3-4,13H2,1-2H3