5-[(3-nitrophenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-nitrophenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H14N4O2S2 MolecularWeight: 358.43796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S2/c21-20(22)14-8-4-7-13(9-14)11-23-16-19-18-15(24-16)17-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,18)