6-methyl-3-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-9(2)24-15(23)11-4-6-12(7-5-11)17-13(21)8-25-16-18-14(22)10(3)19-20-16/h4-7,9H,8H2,1-3H3,(H,17,21)(H,18,20,22)/p-1