4-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoate IUPAC Name: 4-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C24H19N4O3S- MolecularWeight: 443.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C24H20N4O3S/c29-22(25-19-13-11-18(12-14-19)23(30)31)16-32-24-27-26-21(15-17-7-3-1-4-8-17)28(24)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,25,29)(H,30,31)/p-1