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

Systemtic Name: ethyl 2,4-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNN2C(=NNC2=S)C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNN2C(=NNC2=S)C)N=C1C)C

InChI

InChI=1S/C13H17N5O2S/c1-5-20-12(19)11-7(2)10(15-8(11)3)6-14-18-9(4)16-17-13(18)21/h6,14H,5H2,1-4H3,(H,17,21)