N-(2-phenylbutyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-phenylbutyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)acetamide CAS Name: N-(2-phenylbutyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-phenylbutyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(2-phenylbutyl)acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NN=CN1C2=CC=C(C=C2)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NN=CN1C2=CC=C(C=C2)C(C)C)C3=CC=CC=C3

InChI

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