N-(2-ethyl-6-methyl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4)C

InChI

InChI=1S/C25H31N5OS/c1-3-20-12-10-11-19(2)24(20)26-23(31)18-32-25-28-27-22(17-29-15-8-5-9-16-29)30(25)21-13-6-4-7-14-21/h4,6-7,10-14H,3,5,8-9,15-18H2,1-2H3,(H,26,31)