(2S)-2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoate

Systemtic Name: (2S)-2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]propanoate IUPAC Name: (2S)-2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)thio]propionate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S/c1-8(12(18)19)20-13-14-11(17)10(15-16-13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,19)(H,14,16,17)/p-1/t8-/m0/s1