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

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]-7-ethyl-coumarin Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C21H20N4O2S/c1-4-15-6-7-17-16(11-20(26)27-19(17)10-15)12-28-21-22-23-24-25(21)18-8-5-13(2)9-14(18)3/h5-11H,4,12H2,1-3H3