N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-12(16(22)18-14-10-6-3-7-11-14)23-17-19-15(20-21-17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,22)(H,19,20,21)