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

Systemtic Name: 3-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-[2-ethoxyethoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C22H21N4O5S- MolecularWeight: 453.49094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5S/c1-2-30-12-13-31-21(29)16-8-10-17(11-9-16)23-18(27)14-32-22-24-20(28)19(25-26-22)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,23,27)(H,24,26,28)/p-1