ethyl 2-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-iodo-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H15IN4O3S MolecularWeight: 434.25267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC(=N2)I

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC(=N2)I

InChI

InChI=1S/C13H15IN4O3S/c1-4-21-12(20)10-7(2)8(3)22-11(10)16-9(19)5-18-6-15-13(14)17-18/h6H,4-5H2,1-3H3,(H,16,19)