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

Systemtic Name: 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=CC=C4F)C

InChI

InChI=1S/C21H18FN3O2S/c1-12-8-9-15-14(10-18(26)27-19(15)13(12)2)11-28-21-24-23-20(25(21)3)16-6-4-5-7-17(16)22/h4-10H,11H2,1-3H3