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

Systemtic Name: 4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 7,8-dimethyl-4-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C21H20N4O3S/c1-4-27-18-8-6-5-7-17(18)25-21(22-23-24-25)29-12-15-11-19(26)28-20-14(3)13(2)9-10-16(15)20/h5-11H,4,12H2,1-3H3