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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(1-phenylbutyl)propionamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4OS/c1-4-11-21(20-14-9-6-10-15-20)24-22(28)17(2)29-23-26-25-18(3)27(23)16-19-12-7-5-8-13-19/h5-10,12-15,17,21H,4,11,16H2,1-3H3,(H,24,28)