N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]hexanamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC)C3CC3

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC)C3CC3

InChI

InChI=1S/C21H28N4O2S/c1-3-5-6-7-19(27)22-17-12-10-15(11-13-17)18(26)14-28-21-24-23-20(16-8-9-16)25(21)4-2/h10-13,16H,3-9,14H2,1-2H3,(H,22,27)