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

Systemtic Name: 7-methoxy-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-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H20N4O3S/c1-13(2)14-4-6-16(7-5-14)25-21(22-23-24-25)29-12-15-10-20(26)28-19-11-17(27-3)8-9-18(15)19/h4-11,13H,12H2,1-3H3