1-(3-heptylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenyl-urea

Systemtic Name: 1-(3-heptylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenyl-urea Openeye Name: 1-(3-heptylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenyl-urea CAS Name: 1-[3-(heptylthio)-1,2,4-thiadiazol-5-yl]-3-phenylurea IUPAC Name: 1-(3-heptylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea Traditional Name: 1-[3-(heptylthio)-1,2,4-thiadiazol-5-yl]-3-phenyl-urea Formula: C16H22N4OS2 MolecularWeight: 350.50208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NSC(=N1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCSC1=NSC(=N1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H22N4OS2/c1-2-3-4-5-9-12-22-16-19-15(23-20-16)18-14(21)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H2,17,18,19,20,21)