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

Systemtic Name: 4-[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C18H14BrN4O3S- MolecularWeight: 446.29776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O3S/c1-23-16(11-2-6-13(19)7-3-11)21-22-18(23)27-10-15(24)20-14-8-4-12(5-9-14)17(25)26/h2-9H,10H2,1H3,(H,20,24)(H,25,26)/p-1