4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O)C

InChI

InChI=1S/C20H18N4O3S/c1-11-4-6-16(12(2)8-11)24-20(21-22-23-24)28-10-14-9-18(26)27-19-13(3)17(25)7-5-15(14)19/h4-9,25H,10H2,1-3H3