nitromethane; 2-[(2-phenylsulfanylphenyl)methylidene]propanedinitrile

Systemtic Name: nitromethane; 2-[(2-phenylsulfanylphenyl)methylidene]propanedinitrile Openeye Name: nitromethane; 2-[(2-phenylsulfanylphenyl)methylene]propanedinitrile CAS Name: nitromethane; 2-[[2-(phenylthio)phenyl]methylidene]propanedinitrile IUPAC Name: nitromethane; 2-[(2-phenylsulfanylphenyl)methylidene]propanedinitrile Traditional Name: nitromethane; 2-[2-(phenylthio)benzylidene]malononitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=O)[O-].C1=CC=C(C=C1)SC2=CC=CC=C2C=C(C#N)C#N

Isomeric SMILES

C[N+](=O)[O-].C1=CC=C(C=C1)SC2=CC=CC=C2C=C(C#N)C#N

InChI

InChI=1S/C16H10N2S.CH3NO2/c17-11-13(12-18)10-14-6-4-5-9-16(14)19-15-7-2-1-3-8-15;1-2(3)4/h1-10H;1H3