4-(4-methoxyphenyl)sulfanyl-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(4-methoxyphenyl)sulfanyl-3,5-dinitro-benzonitrile CAS Name: 4-[(4-methoxyphenyl)thio]-3,5-dinitrobenzonitrile IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-3,5-dinitrobenzonitrile Traditional Name: 4-[(4-methoxyphenyl)thio]-3,5-dinitro-benzonitrile Formula: C14H9N3O5S MolecularWeight: 331.30336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O5S/c1-22-10-2-4-11(5-3-10)23-14-12(16(18)19)6-9(8-15)7-13(14)17(20)21/h2-7H,1H3