pentyl 2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoate

Systemtic Name: pentyl 2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoate Openeye Name: pentyl 2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetate CAS Name: 2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetic acid amyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC(=O)C(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)CSC1=NC(=O)C(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3S/c1-2-3-7-10-22-13(20)11-23-16-17-15(21)14(18-19-16)12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,17,19,21)