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

Systemtic Name: ethyl 2-[2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)N4CCOCC4

InChI

InChI=1S/C22H25N5O4S2/c1-3-31-20(29)17-8-13-32-19(17)23-18(28)14-33-22-25-24-21(26-9-11-30-12-10-26)27(22)16-6-4-15(2)5-7-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,23,28)