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

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-oxo-2-[3-[oxo(propoxy)methyl]anilino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(3-propoxycarbonylanilino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-3-7-24-15(23)11-5-4-6-12(8-11)17-13(21)9-25-16-18-14(22)10(2)19-20-16/h4-6,8H,3,7,9H2,1-2H3,(H,17,21)(H,18,20,22)/p-1