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

Systemtic Name: 3-[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(4-propoxycarbonylanilino)ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C21H19N4O4S- MolecularWeight: 423.46496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-2-12-29-20(28)15-8-10-16(11-9-15)22-17(26)13-30-21-23-19(27)18(24-25-21)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,26)(H,23,25,27)/p-1