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

Systemtic Name: 7-methyl-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-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H20N4O2S/c1-13(2)15-5-7-17(8-6-15)25-21(22-23-24-25)28-12-16-11-20(26)27-19-10-14(3)4-9-18(16)19/h4-11,13H,12H2,1-3H3