3-(2-methylpropylsulfanyl)-2H-1,3,5-triazine-1,3-diium 1-oxide

Systemtic Name: 3-(2-methylpropylsulfanyl)-2H-1,3,5-triazine-1,3-diium 1-oxide Openeye Name: 3-isobutylsulfanyl-2H-1,3,5-triazine-1,3-diium 1-oxide CAS Name: 3-(2-methylpropylthio)-2H-1,3,5-triazine-1,3-diium 1-oxide IUPAC Name: 3-(2-methylpropylsulfanyl)-2H-1,3,5-triazine-1,3-diium 1-oxide Traditional Name: 3-(isobutylthio)-2H-s-triazine-1,3-diium 1-oxide Formula: C7H13N3OS+2 MolecularWeight: 187.26262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS[N+]1=CN=C[N+](=O)C1

Isomeric SMILES

CC(C)CS[N+]1=CN=C[N+](=O)C1

InChI

InChI=1S/C7H13N3OS/c1-7(2)3-12-10-5-8-4-9(11)6-10/h4-5,7H,3,6H2,1-2H3/q+2