2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N5OS/c1-4-8-19(17-9-6-5-7-10-17)24-21(28)16(3)29-22-26-25-20(27(22)23)18-13-11-15(2)12-14-18/h5-7,9-14,16,19H,4,8,23H2,1-3H3,(H,24,28)