N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H33N5OS MolecularWeight: 427.60602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H33N5OS/c1-18-25-26-23(28(18)21-9-5-4-6-10-21)30-17-22(29)24-19-11-13-20(14-12-19)27-15-7-2-3-8-16-27/h11-14,21H,2-10,15-17H2,1H3,(H,24,29)