2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(piperidine-1-carbonyl)benzyl]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C24H27N5O2S/c1-18-26-27-24(29(18)21-8-4-2-5-9-21)32-17-22(30)25-16-19-10-12-20(13-11-19)23(31)28-14-6-3-7-15-28/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,25,30)