4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid Openeye Name: 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid CAS Name: 4-[[5-[(4-heptoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]butanoic acid IUPAC Name: 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid Traditional Name: 4-[[5-[(4-heptoxybenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]butyric acid Formula: C20H28N2O3S3 MolecularWeight: 440.64292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CSC2=NN=C(S2)SCCCC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CSC2=NN=C(S2)SCCCC(=O)O

InChI

InChI=1S/C20H28N2O3S3/c1-2-3-4-5-6-13-25-17-11-9-16(10-12-17)15-27-20-22-21-19(28-20)26-14-7-8-18(23)24/h9-12H,2-8,13-15H2,1H3,(H,23,24)