3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

Systemtic Name: 3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Openeye Name: 3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole CAS Name: 3-(heptylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole IUPAC Name: 3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Traditional Name: 3-(heptylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Formula: C15H25N3S2 MolecularWeight: 311.5091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NSN=C1C2=CCCN(C2)C

Isomeric SMILES

CCCCCCCSC1=NSN=C1C2=CCCN(C2)C

InChI

InChI=1S/C15H25N3S2/c1-3-4-5-6-7-11-19-15-14(16-20-17-15)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3