2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-propanamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-isobutyl-propionamide Formula: C19H29N5OS MolecularWeight: 375.53146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H29N5OS/c1-12(2)11-21-17(25)13(3)26-18-23-22-16(24(18)20)14-7-9-15(10-8-14)19(4,5)6/h7-10,12-13H,11,20H2,1-6H3,(H,21,25)