ethyl 2-[[5-[[(4-methoxyphenyl)carbonylamino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-[[5-[[(4-methoxyphenyl)carbonylamino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(p-anisoylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N4O4S/c1-4-30-21(28)15(2)31-22-25-24-19(26(22)17-8-6-5-7-9-17)14-23-20(27)16-10-12-18(29-3)13-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27)