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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C

InChI

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