7,8-dimethyl-4-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]coumarin Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C22H22N4O2S/c1-13(2)16-6-8-18(9-7-16)26-22(23-24-25-26)29-12-17-11-20(27)28-21-15(4)14(3)5-10-19(17)21/h5-11,13H,12H2,1-4H3