3-nitro-4-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-benzenecarbonitrile Openeye Name: 4-(1-benzylimidazol-2-yl)sulfanyl-3-nitro-benzonitrile CAS Name: 3-nitro-4-[[1-(phenylmethyl)-2-imidazolyl]thio]benzonitrile IUPAC Name: 4-(1-benzylimidazol-2-yl)sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[(1-benzylimidazol-2-yl)thio]-3-nitro-benzonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c18-11-14-6-7-16(15(10-14)21(22)23)24-17-19-8-9-20(17)12-13-4-2-1-3-5-13/h1-10H,12H2