6-ethyl-4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C20H18N4O4S/c1-3-12-8-16-13(9-19(26)28-18(16)10-17(12)25)11-29-20-21-22-23-24(20)14-4-6-15(27-2)7-5-14/h4-10,25H,3,11H2,1-2H3