ethyl 5-oxidanylidene-2-(phenylmethyl)-3-sulfanylidene-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-2-(phenylmethyl)-3-sulfanylidene-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 2-benzyl-5-oxo-3-thioxo-1,2,4-triazine-6-carboxylate CAS Name: 5-oxo-2-(phenylmethyl)-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylate Traditional Name: 2-benzyl-5-keto-3-thioxo-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=S)NC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(C(=S)NC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S/c1-2-19-12(18)10-11(17)14-13(20)16(15-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,17,20)