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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-14(16(24)21-18(12-19)10-6-3-7-11-18)25-17-22-20-13-23(17)15-8-4-2-5-9-15/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,21,24)