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

Systemtic Name: 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 3-[[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 3-[[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]methyl]benzoate IUPAC Name: 3-[[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 3-[[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]methyl]benzoate Formula: C18H15N4O3S- MolecularWeight: 367.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-15(19-10-12-5-4-8-14(9-12)17(24)25)11-26-18-20-16(21-22-18)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,19,23)(H,24,25)(H,20,21,22)/p-1