2-[2-(4-ethyl-5-methyl-2-oxidanylidene-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]propanenitrile

Systemtic Name: 2-[2-(4-ethyl-5-methyl-2-oxidanylidene-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]propanenitrile Openeye Name: 2-[2-(4-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]propanenitrile CAS Name: 2-[2-(4-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]propanenitrile IUPAC Name: 2-[2-(4-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]propanenitrile Traditional Name: 2-[2-(4-ethyl-2-keto-5-methyl-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]propionitrile Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1NC(=O)N(CN1C)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])C(C)C#N

Isomeric SMILES

CCC1NC(=O)N(CN1C)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])C(C)C#N

InChI

InChI=1S/C16H18N6O3S/c1-4-12-19-15(23)21(8-20(12)3)16-18-10-5-6-11(22(24)25)13(9(2)7-17)14(10)26-16/h5-6,9,12H,4,8H2,1-3H3,(H,19,23)