4-nitro-2-(4-propylphenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 4-nitro-2-(4-propylphenyl)sulfanyl-benzenecarbonitrile Openeye Name: 4-nitro-2-(4-propylphenyl)sulfanyl-benzonitrile CAS Name: 4-nitro-2-[(4-propylphenyl)thio]benzonitrile IUPAC Name: 4-nitro-2-(4-propylphenyl)sulfanylbenzonitrile Traditional Name: 4-nitro-2-[(4-propylphenyl)thio]benzonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H14N2O2S/c1-2-3-12-4-8-15(9-5-12)21-16-10-14(18(19)20)7-6-13(16)11-17/h4-10H,2-3H2,1H3