3-[4-azanyl-3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[4-azanyl-3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[4-amino-3-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[4-amino-3-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[4-amino-3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[4-amino-3-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionic acid Formula: C14H14FN5O4S MolecularWeight: 367.355463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)F

InChI

InChI=1S/C14H14FN5O4S/c15-8-1-3-9(4-2-8)17-11(21)7-25-14-19-18-10(5-6-12(22)23)13(24)20(14)16/h1-4H,5-7,16H2,(H,17,21)(H,22,23)