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

Systemtic Name: 6-ethyl-4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Openeye Name: 6-ethyl-4-methyl-7-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one CAS Name: 6-ethyl-4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Traditional Name: 6-ethyl-4-methyl-7-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]coumarin Formula: C22H21N3O3S MolecularWeight: 407.48544

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-4-15-10-17-14(3)9-21(26)28-19(17)11-18(15)27-12-20-23-24-22(29)25(20)16-7-5-13(2)6-8-16/h5-11H,4,12H2,1-3H3,(H,24,29)