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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

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