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

Systemtic Name: 4-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC(=CC(=C4)C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC(=CC(=C4)C)C)O

InChI

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