(2Z)-2-isocyano-2-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-1,3-oxazolidin-2-ylidene]ethanamide

Systemtic Name: (2Z)-2-isocyano-2-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-1,3-oxazolidin-2-ylidene]ethanamide Openeye Name: (2Z)-2-isocyano-2-[5-(4-nitrophenyl)-4-(sulfanylmethyl)oxazolidin-2-ylidene]acetamide CAS Name: (2Z)-2-isocyano-2-[4-(mercaptomethyl)-5-(4-nitrophenyl)-2-oxazolidinylidene]acetamide IUPAC Name: (2Z)-2-isocyano-2-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-1,3-oxazolidin-2-ylidene]acetamide Traditional Name: (2Z)-2-isocyano-2-[4-(mercaptomethyl)-5-(4-nitrophenyl)oxazolidin-2-ylidene]acetamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=C1NC(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CS)C(=O)N

Isomeric SMILES

[C-]#[N+]/C(=C\1/NC(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CS)/C(=O)N

InChI

InChI=1S/C13H12N4O4S/c1-15-10(12(14)18)13-16-9(6-22)11(21-13)7-2-4-8(5-3-7)17(19)20/h2-5,9,11,16,22H,6H2,(H2,14,18)/b13-10-