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

Systemtic Name: 7-bromanyl-4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C19H13BrFN3O2S MolecularWeight: 446.292823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C19H13BrFN3O2S/c1-24-18(14-4-2-3-5-15(14)21)22-23-19(24)27-10-11-8-17(25)26-16-9-12(20)6-7-13(11)16/h2-9H,10H2,1H3