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

Systemtic Name: 7-bromanyl-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H15BrFN3O2S MolecularWeight: 472.330103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C5=CC=CC=C5F

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C5=CC=CC=C5F

InChI

InChI=1S/C21H15BrFN3O2S/c22-13-5-8-15-12(9-19(27)28-18(15)10-13)11-29-21-25-24-20(26(21)14-6-7-14)16-3-1-2-4-17(16)23/h1-5,8-10,14H,6-7,11H2