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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-16(29-22-24-20(25-26-22)17-8-4-2-5-9-17)21(28)23-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,23,28)(H,24,25,26)