5,6-dimethyl-1H-pyrimidine-2-thione; nitrobenzene

Systemtic Name: 5,6-dimethyl-1H-pyrimidine-2-thione; nitrobenzene Openeye Name: 5,6-dimethyl-1H-pyrimidine-2-thione; nitrobenzene CAS Name: 5,6-dimethyl-1H-pyrimidine-2-thione; nitrobenzene IUPAC Name: 5,6-dimethyl-1H-pyrimidine-2-thione; nitrobenzene Traditional Name: 5,6-dimethyl-1H-pyrimidine-2-thione; nitrobenzene Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)N=C1)C.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=S)N=C1)C.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C6H8N2S.C6H5NO2/c1-4-3-7-6(9)8-5(4)2;8-7(9)6-4-2-1-3-5-6/h3H,1-2H3,(H,7,8,9);1-5H