methyl 5-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate

Systemtic Name: methyl 5-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate Openeye Name: methyl 5-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]pentanoate CAS Name: 5-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]pentanoic acid methyl ester IUPAC Name: methyl 5-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate Traditional Name: 5-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]valeric acid methyl ester Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SCCCCC(=O)OC)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SCCCCC(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C15H26N4O3S/c1-6-11(2)13-16-14(19(17-13)15(21)18(3)4)23-10-8-7-9-12(20)22-5/h11H,6-10H2,1-5H3