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

Systemtic Name: 3-[2-oxidanylidene-2-[(4-pentoxycarbonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-[4-[oxo(pentoxy)methyl]anilino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-amoxycarbonylanilino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C17H19N4O4S- MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-2-3-4-9-25-16(24)12-5-7-13(8-6-12)19-15(23)11-26-17-20-14(22)10-18-21-17/h5-8,10H,2-4,9,11H2,1H3,(H,19,23)(H,20,21,22)/p-1