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

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-nitrophenyl)methylthio]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C15H12N4O2S2 MolecularWeight: 344.41138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S2/c20-19(21)13-8-4-5-11(9-13)10-22-15-18-17-14(23-15)16-12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)