2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C21H29N5OS MolecularWeight: 399.55286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H29N5OS/c1-16(19(27)22-13-12-17-8-4-2-5-9-17)28-21-24-23-20(26(21)18-10-11-18)25-14-6-3-7-15-25/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3,(H,22,27)