2-methyl-3-(4-nitrophenyl)sulfanyl-propanenitrile

Systemtic Name: 2-methyl-3-(4-nitrophenyl)sulfanyl-propanenitrile Openeye Name: 2-methyl-3-(4-nitrophenyl)sulfanyl-propanenitrile CAS Name: 2-methyl-3-[(4-nitrophenyl)thio]propanenitrile IUPAC Name: 2-methyl-3-(4-nitrophenyl)sulfanylpropanenitrile Traditional Name: 2-methyl-3-[(4-nitrophenyl)thio]propionitrile Formula: C10H10N2O2S MolecularWeight: 222.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CC(CSC1=CC=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H10N2O2S/c1-8(6-11)7-15-10-4-2-9(3-5-10)12(13)14/h2-5,8H,7H2,1H3