5-(4-dimethylaminophenyl)sulfanyl-2-nitro-benzenecarbonitrile

Systemtic Name: 5-(4-dimethylaminophenyl)sulfanyl-2-nitro-benzenecarbonitrile Openeye Name: 5-(4-dimethylaminophenyl)sulfanyl-2-nitro-benzonitrile CAS Name: 5-[(4-dimethylaminophenyl)thio]-2-nitrobenzonitrile IUPAC Name: 5-(4-dimethylaminophenyl)sulfanyl-2-nitrobenzonitrile Traditional Name: 5-[(4-dimethylaminophenyl)thio]-2-nitro-benzonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-17(2)12-3-5-13(6-4-12)21-14-7-8-15(18(19)20)11(9-14)10-16/h3-9H,1-2H3