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

Systemtic Name: 1-ethyl-3-(7-ethyl-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1,3,5-triazinan-2-one Openeye Name: 1-ethyl-3-(7-ethyl-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1,3,5-triazinan-2-one CAS Name: 1-ethyl-3-(7-ethyl-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1,3,5-triazinan-2-one IUPAC Name: 1-ethyl-3-(7-ethyl-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1,3,5-triazinan-2-one Traditional Name: 1-ethyl-3-(7-ethyl-6-nitro-1,3-benzothiazol-2-yl)-5-methyl-1,3,5-triazinan-2-one Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1SC(=N2)N3CN(CN(C3=O)CC)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC2=C1SC(=N2)N3CN(CN(C3=O)CC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3S/c1-4-10-12(20(22)23)7-6-11-13(10)24-14(16-11)19-9-17(3)8-18(5-2)15(19)21/h6-7H,4-5,8-9H2,1-3H3