N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-[(2S)-2-methylhexyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H24ClN5O2S MolecularWeight: 409.93346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CN1C(=NN=C1SCC(=O)NC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC[C@H](C)CN1C(=NN=C1SCC(=O)NC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClN5O2S/c1-3-4-5-12(2)10-24-16(13-6-8-14(19)9-7-13)22-23-18(24)27-11-15(25)21-17(20)26/h6-9,12H,3-5,10-11H2,1-2H3,(H3,20,21,25,26)/t12-/m0/s1