2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(isoamylcarbamoyl)acetamide Formula: C18H24ClN5O2S MolecularWeight: 409.93346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NCCC(C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NCCC(C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClN5O2S/c1-4-24-16(13-5-7-14(19)8-6-13)22-23-18(24)27-11-15(25)21-17(26)20-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H2,20,21,25,26)