4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C19H14FN3O2S MolecularWeight: 367.396763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4F

InChI

InChI=1S/C19H14FN3O2S/c1-11-6-7-13-12(9-17(24)25-16(13)8-11)10-26-19-21-18(22-23-19)14-4-2-3-5-15(14)20/h2-9H,10H2,1H3,(H,21,22,23)