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

Systemtic Name: 4-methyl-3-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-methyl-3-[[2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C25H23N4O3S2- MolecularWeight: 491.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H24N4O3S2/c1-17-9-10-19(24(31)32)14-21(17)26-23(30)16-34-25-28-27-22(15-20-8-5-13-33-20)29(25)12-11-18-6-3-2-4-7-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,26,30)(H,31,32)/p-1