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

Systemtic Name: ethyl 2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]butanoate Openeye Name: ethyl 2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]butanoate CAS Name: 2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]butanoate Traditional Name: 2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]butyric acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=O)C(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3S/c1-3-11(14(20)21-4-2)22-15-16-13(19)12(17-18-15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,16,18,19)