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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[(4-phenyl-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=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=CN3C4=CC=CC=C4

InChI

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