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

Systemtic Name: 4-ethyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one Openeye Name: 4-ethyl-3-phenyl-7-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one CAS Name: 4-ethyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-ethyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one Traditional Name: 4-ethyl-3-phenyl-7-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NC(=S)NN3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NC(=S)NN3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-2-14-15-9-8-13(25-11-17-21-20(27)23-22-17)10-16(15)26-19(24)18(14)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,21,22,23,27)