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

Systemtic Name: 4-ethyl-5-methyl-1-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Openeye Name: 4-ethyl-5-methyl-1-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one CAS Name: 4-ethyl-5-methyl-1-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one IUPAC Name: 4-ethyl-5-methyl-1-(6-nitro-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Traditional Name: 4-ethyl-5-methyl-1-(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:

CCC1NC(=O)N(CN1C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1NC(=O)N(CN1C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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