4-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)COC4=CC=CC=C4F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)COC4=CC=CC=C4F)O

InChI

InChI=1S/C21H19FN4O4S/c1-2-12-7-14-13(8-20(28)30-18(14)9-16(12)27)11-31-21-25-24-19(26(21)23)10-29-17-6-4-3-5-15(17)22/h3-9,27H,2,10-11,23H2,1H3