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

Systemtic Name: 4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-coumarin Formula: C15H13F3N4O2S MolecularWeight: 370.34953

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C15H13F3N4O2S/c1-2-8-3-4-10-9(6-12(23)24-11(10)5-8)7-25-14-21-20-13(22(14)19)15(16,17)18/h3-6H,2,7,19H2,1H3