N-(4-tert-butylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C26H33N5OS/c1-26(2,3)20-12-14-21(15-13-20)27-24(32)19-33-25-29-28-23(18-30-16-8-5-9-17-30)31(25)22-10-6-4-7-11-22/h4,6-7,10-15H,5,8-9,16-19H2,1-3H3,(H,27,32)