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

Systemtic Name: ethyl 2-[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3S2/c1-3-31-22(16-15-19-11-7-5-8-12-19)29-30-27(31)36-18-23(32)28-25-24(26(33)34-4-2)21(17-35-25)20-13-9-6-10-14-20/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,28,32)