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

Systemtic Name: 1-ethyl-5-methyl-3-[6-nitro-7-(phenylmethyl)-1,3-benzothiazol-2-yl]-1,3,5-triazinan-2-one Openeye Name: 1-(7-benzyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,3,5-triazinan-2-one CAS Name: 1-ethyl-5-methyl-3-[6-nitro-7-(phenylmethyl)-1,3-benzothiazol-2-yl]-1,3,5-triazinan-2-one IUPAC Name: 1-(7-benzyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,3,5-triazinan-2-one Traditional Name: 1-(7-benzyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,3,5-triazinan-2-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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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-])CC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-3-23-12-22(2)13-24(20(23)26)19-21-16-9-10-17(25(27)28)15(18(16)29-19)11-14-7-5-4-6-8-14/h4-10H,3,11-13H2,1-2H3