3-[2-oxidanylidene-2-[(4-pentoxycarbonylphenyl)amino]ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-oxidanylidene-2-[(4-pentoxycarbonylphenyl)amino]ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-[4-[oxo(pentoxy)methyl]anilino]ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-amoxycarbonylanilino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C23H23N4O4S- MolecularWeight: 451.51812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H24N4O4S/c1-2-3-7-14-31-22(30)17-10-12-18(13-11-17)24-19(28)15-32-23-25-21(29)20(26-27-23)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,24,28)(H,25,27,29)/p-1