4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4F)C

InChI

InChI=1S/C20H16FN3O2S/c1-11-7-8-14-13(9-17(25)26-18(14)12(11)2)10-27-20-22-19(23-24-20)15-5-3-4-6-16(15)21/h3-9H,10H2,1-2H3,(H,22,23,24)