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

Systemtic Name: 1-ethyl-5-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Openeye Name: 1-ethyl-5-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one CAS Name: 1-ethyl-5-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one IUPAC Name: 1-ethyl-5-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Traditional Name: 1-ethyl-5-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Formula: C13H15N5O3S MolecularWeight: 321.3549

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-3-16-7-15(2)8-17(13(16)19)12-14-10-5-4-9(18(20)21)6-11(10)22-12/h4-6H,3,7-8H2,1-2H3