N-[4-(azepan-1-yl)phenyl]-2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]acetamide Formula: C23H28N6OS MolecularWeight: 436.57302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C23H28N6OS/c1-17-13-18(2)15-21(14-17)29-23(25-26-27-29)31-16-22(30)24-19-7-9-20(10-8-19)28-11-5-3-4-6-12-28/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,24,30)