6-ethyl-7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-chromen-2-one

Systemtic Name: 6-ethyl-7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 6-ethyl-7-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 6-ethyl-7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methylchromen-2-one Traditional Name: 6-ethyl-7-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-coumarin Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=NNC(=S)N3C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=NNC(=S)N3C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N3O4S/c1-4-14-10-17-13(2)9-21(26)29-19(17)11-18(14)28-12-20-23-24-22(30)25(20)15-5-7-16(27-3)8-6-15/h5-11H,4,12H2,1-3H3,(H,24,30)