ethyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-3-27-19(26)15-9-11-16(12-10-15)21-18(25)13(2)28-20-22-17(23-24-20)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,21,25)(H,22,23,24)