2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C22H24N4O2S/c1-15(29-22-24-20(25-26-22)16-7-5-6-8-16)21(27)23-17-11-13-19(14-12-17)28-18-9-3-2-4-10-18/h2-4,9-16H,5-8H2,1H3,(H,23,27)(H,24,25,26)