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

Systemtic Name: 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C28H24FN3O2S MolecularWeight: 485.572463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5F)C

InChI

InChI=1S/C28H24FN3O2S/c1-18-12-13-22-21(16-25(33)34-26(22)19(18)2)17-35-28-31-30-27(23-10-6-7-11-24(23)29)32(28)15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3