ethyl 4-phenyl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H15N5O3S3 MolecularWeight: 445.5384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN4C=NN=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN4C=NN=C4S3

InChI

InChI=1S/C18H15N5O3S3/c1-2-26-16(25)14-12(11-6-4-3-5-7-11)8-27-15(14)20-13(24)9-28-18-22-23-10-19-21-17(23)29-18/h3-8,10H,2,9H2,1H3,(H,20,24)