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

Systemtic Name: 6-ethyl-4-methyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]chromen-2-one Openeye Name: 6-ethyl-4-methyl-7-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]chromen-2-one CAS Name: 6-ethyl-4-methyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-methyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]chromen-2-one Traditional Name: 6-ethyl-4-methyl-7-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-3-14-10-16-13(2)9-20(25)27-18(16)11-17(14)26-12-19-22-23-21(28)24(19)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,23,28)