methyl 2-[2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H23N5O3S/c1-33-24(32)20-11-5-6-12-21(20)27-22(31)17-34-25-29-28-23(19-10-7-14-26-16-19)30(25)15-13-18-8-3-2-4-9-18/h2-12,14,16H,13,15,17H2,1H3,(H,27,31)