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

Systemtic Name: 2-[2-(3-ethyl-5-methyl-2-oxidanylidene-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]ethanenitrile Openeye Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetonitrile CAS Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetonitrile IUPAC Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetonitrile Traditional Name: 2-[2-(3-ethyl-2-keto-5-methyl-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]acetonitrile Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])CC#N)C

Isomeric SMILES

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])CC#N)C

InChI

InChI=1S/C15H16N6O3S/c1-3-19-8-18(2)9-20(15(19)22)14-17-11-4-5-12(21(23)24)10(6-7-16)13(11)25-14/h4-5H,3,6,8-9H2,1-2H3