2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carboxylate

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carboxylate Openeye Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]oxazole-4-carboxylate CAS Name: 2-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolecarboxylate IUPAC Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]oxazole-4-carboxylate Formula: C19H12ClN4O3S- MolecularWeight: 411.84158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CO3)C(=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CO3)C(=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C19H13ClN4O3S/c20-14-9-5-4-8-13(14)17-22-23-19(24(17)12-6-2-1-3-7-12)28-11-16-21-15(10-27-16)18(25)26/h1-10H,11H2,(H,25,26)/p-1