propan-2-yl 3-[3-[(4-aminophenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: propan-2-yl 3-[3-[(4-aminophenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: isopropyl 3-[3-[(4-aminophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[(4-aminophenyl)methylthio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[(4-aminophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[(4-aminobenzyl)thio]-5-keto-2H-1,2,4-triazin-6-yl]propionic acid isopropyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCC2=CC=C(C=C2)N

Isomeric SMILES

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCC2=CC=C(C=C2)N

InChI

InChI=1S/C16H20N4O3S/c1-10(2)23-14(21)8-7-13-15(22)18-16(20-19-13)24-9-11-3-5-12(17)6-4-11/h3-6,10H,7-9,17H2,1-2H3,(H,18,20,22)