4-[[4-(4-chlorophenyl)-5-sulfanidyl-1,2,4-triazol-3-yl]methoxy]benzoate

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-sulfanidyl-1,2,4-triazol-3-yl]methoxy]benzoate Openeye Name: 4-[[4-(4-chlorophenyl)-5-sulfido-1,2,4-triazol-3-yl]methoxy]benzoate CAS Name: 4-[[4-(4-chlorophenyl)-5-sulfido-1,2,4-triazol-3-yl]methoxy]benzoate IUPAC Name: 4-[[4-(4-chlorophenyl)-5-sulfido-1,2,4-triazol-3-yl]methoxy]benzoate Traditional Name: 4-[[4-(4-chlorophenyl)-5-sulfido-1,2,4-triazol-3-yl]methoxy]benzoate Formula: C16H10ClN3O3S-2 MolecularWeight: 359.7869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCC2=NN=C(N2C3=CC=C(C=C3)Cl)[S-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCC2=NN=C(N2C3=CC=C(C=C3)Cl)[S-]

InChI

InChI=1S/C16H12ClN3O3S/c17-11-3-5-12(6-4-11)20-14(18-19-16(20)24)9-23-13-7-1-10(2-8-13)15(21)22/h1-8H,9H2,(H,19,24)(H,21,22)/p-2