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

Systemtic Name: 6-ethyl-4-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(1-p-anisyltetrazol-5-yl)thio]methyl]coumarin Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=C(C=C4)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3CC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C21H20N4O4S/c1-3-14-8-17-15(9-20(27)29-19(17)10-18(14)26)12-30-21-22-23-24-25(21)11-13-4-6-16(28-2)7-5-13/h4-10,26H,3,11-12H2,1-2H3