(2R)-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H25ClN4OS MolecularWeight: 380.9353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CN1C(=NN=C1SC(C)C(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC[C@H](C)CN1C(=NN=C1S[C@H](C)C(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN4OS/c1-4-5-6-12(2)11-23-17(14-7-9-15(19)10-8-14)21-22-18(23)25-13(3)16(20)24/h7-10,12-13H,4-6,11H2,1-3H3,(H2,20,24)/t12-,13+/m0/s1