3-(4-nitrophenyl)-3-oxidanylidene-2-propylsulfanyl-2-(propylsulfanylmethyl)propanenitrile

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanylidene-2-propylsulfanyl-2-(propylsulfanylmethyl)propanenitrile Openeye Name: 3-(4-nitrophenyl)-3-oxo-2-propylsulfanyl-2-(propylsulfanylmethyl)propanenitrile CAS Name: 3-(4-nitrophenyl)-3-oxo-2-(propylthio)-2-[(propylthio)methyl]propanenitrile IUPAC Name: 3-(4-nitrophenyl)-3-oxo-2-propylsulfanyl-2-(propylsulfanylmethyl)propanenitrile Traditional Name: 3-keto-3-(4-nitrophenyl)-2-(propylthio)-2-[(propylthio)methyl]propionitrile Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(C#N)(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])SCCC

Isomeric SMILES

CCCSCC(C#N)(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])SCCC

InChI

InChI=1S/C16H20N2O3S2/c1-3-9-22-12-16(11-17,23-10-4-2)15(19)13-5-7-14(8-6-13)18(20)21/h5-8H,3-4,9-10,12H2,1-2H3