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

Systemtic Name: 3-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-[2-ethoxyethoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C16H17N4O5S- MolecularWeight: 377.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-2-24-7-8-25-15(23)11-3-5-12(6-4-11)18-14(22)10-26-16-19-13(21)9-17-20-16/h3-6,9H,2,7-8,10H2,1H3,(H,18,22)(H,19,20,21)/p-1