N-[2-(1,3-diazinan-2-ylidene)-2-nitro-ethanethioyl]benzamide

Systemtic Name: N-[2-(1,3-diazinan-2-ylidene)-2-nitro-ethanethioyl]benzamide Openeye Name: N-(2-hexahydropyrimidin-2-ylidene-2-nitro-ethanethioyl)benzamide CAS Name: N-[2-(1,3-diazinan-2-ylidene)-2-nitro-1-sulfanylideneethyl]benzamide IUPAC Name: N-[2-(1,3-diazinan-2-ylidene)-2-nitroethanethioyl]benzamide Traditional Name: N-(2-hexahydropyrimidin-2-ylidene-2-nitro-thioacetyl)benzamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C(=S)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])NC1

Isomeric SMILES

C1CNC(=C(C(=S)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])NC1

InChI

InChI=1S/C13H14N4O3S/c18-12(9-5-2-1-3-6-9)16-13(21)10(17(19)20)11-14-7-4-8-15-11/h1-3,5-6,14-15H,4,7-8H2,(H,16,18,21)