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

Systemtic Name: 2-chloranyl-3-methyl-5-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-chloro-3-methyl-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-3-methyl-5-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoate IUPAC Name: 2-chloro-3-methyl-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-3-methyl-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C18H14ClN4O3S- MolecularWeight: 401.84676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C(=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O3S/c1-11-7-12(8-14(16(11)19)17(25)26)21-15(24)9-27-18-20-10-23(22-18)13-5-3-2-4-6-13/h2-8,10H,9H2,1H3,(H,21,24)(H,25,26)/p-1