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

Systemtic Name: 2-[2-(3-ethyl-5-methyl-2-oxidanylidene-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]-3-phenyl-propanenitrile Openeye Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]-3-phenyl-propanenitrile CAS Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]-3-phenylpropanenitrile IUPAC Name: 2-[2-(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]-3-phenylpropanenitrile Traditional Name: 2-[2-(3-ethyl-2-keto-5-methyl-1,3,5-triazinan-1-yl)-6-nitro-1,3-benzothiazol-7-yl]-3-phenyl-propionitrile Formula: C22H22N6O3S MolecularWeight: 450.51348

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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-])C(CC4=CC=CC=C4)C#N)C

Isomeric SMILES

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C22H22N6O3S/c1-3-26-13-25(2)14-27(22(26)29)21-24-17-9-10-18(28(30)31)19(20(17)32-21)16(12-23)11-15-7-5-4-6-8-15/h4-10,16H,3,11,13-14H2,1-2H3