2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: N-mesityl-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)C

InChI

InChI=1S/C25H31N5OS/c1-17-15-18(2)22(19(3)16-17)26-23(31)20(4)32-25-28-27-24(29-13-9-6-10-14-29)30(25)21-11-7-5-8-12-21/h5,7-8,11-12,15-16,20H,6,9-10,13-14H2,1-4H3,(H,26,31)