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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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