2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]pent-4-enoic acid

Systemtic Name: 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]pent-4-enoic acid Openeye Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]pent-4-enoic acid CAS Name: 2-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]-4-pentenoic acid IUPAC Name: 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]pent-4-enoic acid Traditional Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]pent-4-enoic acid Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SC(CC=C)C(=O)O)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SC(CC=C)C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C14H22N4O3S/c1-6-8-10(12(19)20)22-13-15-11(9(3)7-2)16-18(13)14(21)17(4)5/h6,9-10H,1,7-8H2,2-5H3,(H,19,20)