(Z)-7-(5-heptylsulfanyl-1,2,4-triazol-1-yl)-6-methyl-hept-5-enoic acid

Systemtic Name: (Z)-7-(5-heptylsulfanyl-1,2,4-triazol-1-yl)-6-methyl-hept-5-enoic acid Openeye Name: (Z)-7-(5-heptylsulfanyl-1,2,4-triazol-1-yl)-6-methyl-hept-5-enoic acid CAS Name: (Z)-7-[5-(heptylthio)-1,2,4-triazol-1-yl]-6-methyl-5-heptenoic acid IUPAC Name: (Z)-7-(5-heptylsulfanyl-1,2,4-triazol-1-yl)-6-methylhept-5-enoic acid Traditional Name: (Z)-7-[5-(heptylthio)-1,2,4-triazol-1-yl]-6-methyl-hept-5-enoic acid Formula: C17H29N3O2S MolecularWeight: 339.49606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=NN1CC(=CCCCC(=O)O)C

Isomeric SMILES

CCCCCCCSC1=NC=NN1C/C(=C\CCCC(=O)O)/C

InChI

InChI=1S/C17H29N3O2S/c1-3-4-5-6-9-12-23-17-18-14-19-20(17)13-15(2)10-7-8-11-16(21)22/h10,14H,3-9,11-13H2,1-2H3,(H,21,22)/b15-10-