4-phenyl-5-(4-propan-2-yloxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-(4-propan-2-yloxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-isopropoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-(4-propan-2-yloxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(4-propan-2-yloxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-isopropoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C17H16N3OS- MolecularWeight: 310.39344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C17H17N3OS/c1-12(2)21-15-10-8-13(9-11-15)16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)/p-1