2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[5-[(methylthio)methyl]-2-furanyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[5-[(methylthio)methyl]-2-furyl]methylamino]-5-nitro-benzonitrile Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H13N3O3S/c1-21-9-13-4-3-12(20-13)8-16-14-5-2-11(17(18)19)6-10(14)7-15/h2-6,16H,8-9H2,1H3