ethyl (5E)-2,4-dimethyl-5-(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-2,4-dimethyl-5-(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-(4-allyl-5-thioxo-1,2,4-triazolidin-3-ylidene)-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: (5E)-2,4-dimethyl-5-(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2,4-dimethyl-5-(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)pyrrole-3-carboxylate Traditional Name: (5E)-5-(4-allyl-5-thioxo-1,2,4-triazolidin-3-ylidene)-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2NNC(=S)N2CC=C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=C/2\NNC(=S)N2CC=C)/N=C1C)C

InChI

InChI=1S/C14H18N4O2S/c1-5-7-18-12(16-17-14(18)21)11-8(3)10(9(4)15-11)13(19)20-6-2/h5,16H,1,6-7H2,2-4H3,(H,17,21)/b12-11-