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

Systemtic Name: ethyl 2-[2-[[5-(2,5-dimethylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-(2,5-dimethylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(2,5-dimethyl-3-pyrazolyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-(2,5-dimethylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(2,5-dimethylpyrazol-3-yl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N6O4S2 MolecularWeight: 554.6842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC)C4=CC(=NN4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC)C4=CC(=NN4C)C

InChI

InChI=1S/C26H30N6O4S2/c1-7-35-19-11-9-18(10-12-19)32-23(20-13-15(3)30-31(20)6)28-29-26(32)37-14-21(33)27-24-22(25(34)36-8-2)16(4)17(5)38-24/h9-13H,7-8,14H2,1-6H3,(H,27,33)