(E)-3-(3-nitrophenyl)-2-piperidin-1-ylcarbothioyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-2-piperidin-1-ylcarbothioyl-prop-2-enenitrile Openeye Name: (E)-3-(3-nitrophenyl)-2-(piperidine-1-carbothioyl)prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-2-[1-piperidinyl(sulfanylidene)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-nitrophenyl)-2-(piperidine-1-carbothioyl)prop-2-enenitrile Traditional Name: (E)-3-(3-nitrophenyl)-2-(piperidine-1-carbothioyl)acrylonitrile Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)C(=S)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H15N3O2S/c16-11-13(15(21)17-7-2-1-3-8-17)9-12-5-4-6-14(10-12)18(19)20/h4-6,9-10H,1-3,7-8H2/b13-9+