2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-cyclohexyl-ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-cyclohexyl-ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-cyclohexyl-acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-cyclohexylacetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-cyclohexylacetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-cyclohexyl-acetamide Formula: C18H25N5OS MolecularWeight: 359.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C18H25N5OS/c19-17-21-22-18(25-12-11-14-7-3-1-4-8-14)23(17)13-16(24)20-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,19,21)(H,20,24)