5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-butyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-butyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzoxazol-2-ylmethylthio)-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-butyl-amine Formula: C14H16N4OS2 MolecularWeight: 320.43304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C14H16N4OS2/c1-2-3-8-15-13-17-18-14(21-13)20-9-12-16-10-6-4-5-7-11(10)19-12/h4-7H,2-3,8-9H2,1H3,(H,15,17)