3-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C14H12BrN4O4S- MolecularWeight: 412.23848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-])Br

InChI

InChI=1S/C14H13BrN4O4S/c15-8-1-3-9(4-2-8)16-11(20)7-24-14-17-13(23)10(18-19-14)5-6-12(21)22/h1-4H,5-7H2,(H,16,20)(H,21,22)(H,17,19,23)/p-1