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

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[(2-pentoxycarbonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-oxo-2-(2-pentoxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-oxo-2-[2-[oxo(pentoxy)methyl]anilino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-oxo-2-(2-pentoxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2-amoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-3-4-7-10-26-17(25)13-8-5-6-9-14(13)19-15(23)11-27-18-20-16(24)12(2)21-22-18/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,19,23)(H,20,22,24)/p-1