1-isothiocyanato-4-(4-nitrophenyl)sulfanyl-benzene

Systemtic Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfanyl-benzene Openeye Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfanyl-benzene CAS Name: 1-isothiocyanato-4-[(4-nitrophenyl)thio]benzene IUPAC Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfanylbenzene Traditional Name: 1-isothiocyanato-4-[(4-nitrophenyl)thio]benzene Formula: C13H8N2O2S2 MolecularWeight: 288.34482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=C=S)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O2S2/c16-15(17)11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-18/h1-8H