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

Systemtic Name: ethyl 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=NN=C(N1CC)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H24N4O3S2/c1-4-16-23-24-21(25(16)5-2)30-13-17(26)22-19-18(20(27)28-6-3)15(12-29-19)14-10-8-7-9-11-14/h7-12H,4-6,13H2,1-3H3,(H,22,26)