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

Systemtic Name: ethyl 2,4-dimethyl-5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O2S/c1-4-19-11(18)10-7(2)9(15-8(10)3)5-14-17-6-13-16-12(17)20/h5-6,14H,4H2,1-3H3,(H,16,20)