nitrobenzene; 4,5,6-trimethyl-1H-pyrimidine-2-thione

Systemtic Name: nitrobenzene; 4,5,6-trimethyl-1H-pyrimidine-2-thione Openeye Name: nitrobenzene; 4,5,6-trimethyl-1H-pyrimidine-2-thione CAS Name: nitrobenzene; 4,5,6-trimethyl-1H-pyrimidine-2-thione IUPAC Name: nitrobenzene; 4,5,6-trimethyl-1H-pyrimidine-2-thione Traditional Name: nitrobenzene; 4,5,6-trimethyl-1H-pyrimidine-2-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)N=C1C)C.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=S)N=C1C)C.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H10N2S.C6H5NO2/c1-4-5(2)8-7(10)9-6(4)3;8-7(9)6-4-2-1-3-5-6/h1-3H3,(H,8,9,10);1-5H