2,6-dinitro-4-(phenylmethylsulfanyl)benzenecarbonitrile

Systemtic Name: 2,6-dinitro-4-(phenylmethylsulfanyl)benzenecarbonitrile Openeye Name: 4-benzylsulfanyl-2,6-dinitro-benzonitrile CAS Name: 2,6-dinitro-4-(phenylmethylthio)benzonitrile IUPAC Name: 4-benzylsulfanyl-2,6-dinitrobenzonitrile Traditional Name: 4-(benzylthio)-2,6-dinitro-benzonitrile Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O4S/c15-8-12-13(16(18)19)6-11(7-14(12)17(20)21)22-9-10-4-2-1-3-5-10/h1-7H,9H2