3-[(3-nitrocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanenitrile

Systemtic Name: 3-[(3-nitrocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanenitrile Openeye Name: 3-[(3-nitrocarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propanenitrile CAS Name: 3-[[3-[nitro(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]propanenitrile IUPAC Name: 3-[(3-nitrocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanenitrile Traditional Name: 3-[(3-nitrocarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propionitrile Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NCCC#N)C(=O)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NCCC#N)C(=O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c13-6-3-7-14-11-10(12(16)15(17)18)8-4-1-2-5-9(8)19-11/h14H,1-5,7H2