5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoic acid

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoic acid Openeye Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoic acid CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanoic acid IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoic acid Traditional Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeric acid Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)O

InChI

InChI=1S/C20H21N3O2S/c1-15-10-12-16(13-11-15)19-21-22-20(26-14-6-5-9-18(24)25)23(19)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,24,25)