diethyl 5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C25H26N4O5S/c1-3-33-23(31)17-12-18(24(32)34-4-2)14-19(13-17)26-21(30)15-35-25-27-22(16-10-11-16)29(28-25)20-8-6-5-7-9-20/h5-9,12-14,16H,3-4,10-11,15H2,1-2H3,(H,26,30)