ethyl 5-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 5-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 5-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC=C2C(=C(C(=N2)C)C(=O)OCC)C

Isomeric SMILES

CCC1=NNC(=S)N1NC=C2C(=C(C(=N2)C)C(=O)OCC)C

InChI

InChI=1S/C14H19N5O2S/c1-5-11-17-18-14(22)19(11)15-7-10-8(3)12(9(4)16-10)13(20)21-6-2/h7,15H,5-6H2,1-4H3,(H,18,22)