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

Systemtic Name: 4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4OC

InChI

InChI=1S/C21H19N3O4S/c1-3-24-20(16-6-4-5-7-17(16)27-2)22-23-21(24)29-12-13-10-19(26)28-18-11-14(25)8-9-15(13)18/h4-11,25H,3,12H2,1-2H3