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

Systemtic Name: 4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-coumarin Formula: C13H8BrF3N4O2S MolecularWeight: 421.19243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C13H8BrF3N4O2S/c14-7-1-2-8-6(3-10(22)23-9(8)4-7)5-24-12-20-19-11(21(12)18)13(15,16)17/h1-4H,5,18H2