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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=CN2C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=CN2C3=CC=CC=N3

InChI

InChI=1S/C18H19N5O3S2/c1-4-26-17(25)15-11(2)12(3)28-16(15)21-14(24)9-27-18-22-20-10-23(18)13-7-5-6-8-19-13/h5-8,10H,4,9H2,1-3H3,(H,21,24)