2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-cyclohexyl-propanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-cyclohexyl-propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-cyclohexyl-propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-cyclohexylpropanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-cyclohexylpropanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-cyclohexyl-propionamide Formula: C18H25N5OS MolecularWeight: 359.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1CCCCC1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H25N5OS/c1-13(16(24)20-15-10-6-3-7-11-15)23-17(19)21-22-18(23)25-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H2,19,21)(H,20,24)