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

Systemtic Name: 3-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-hexoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-[hexoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-hexoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-hexoxycarbonylanilino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C24H25N4O4S- MolecularWeight: 465.5447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4S/c1-2-3-4-8-15-32-23(31)18-11-13-19(14-12-18)25-20(29)16-33-24-26-22(30)21(27-28-24)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,25,29)(H,26,28,30)/p-1