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

Systemtic Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzoxazol-2-ylmethylthio)-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-(4-ethylphenyl)amine Formula: C18H16N4OS2 MolecularWeight: 368.47584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H16N4OS2/c1-2-12-7-9-13(10-8-12)19-17-21-22-18(25-17)24-11-16-20-14-5-3-4-6-15(14)23-16/h3-10H,2,11H2,1H3,(H,19,21)