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

Systemtic Name: methyl 3-[2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H21N5O4S2/c1-28-18(27)17-15(7-12-30-17)21-16(26)13-31-20-23-22-19(24-8-10-29-11-9-24)25(20)14-5-3-2-4-6-14/h2-7,12H,8-11,13H2,1H3,(H,21,26)