6-(diphenylamino)-2-methyl-5-nitro-1H-pyrimidine-4-thione

Systemtic Name: 6-(diphenylamino)-2-methyl-5-nitro-1H-pyrimidine-4-thione Openeye Name: 2-methyl-5-nitro-6-(N-phenylanilino)-1H-pyrimidine-4-thione CAS Name: 2-methyl-5-nitro-6-(N-phenylanilino)-1H-pyrimidine-4-thione IUPAC Name: 2-methyl-5-nitro-6-(N-phenylanilino)-1H-pyrimidine-4-thione Traditional Name: 2-methyl-5-nitro-6-(N-phenylanilino)-1H-pyrimidine-4-thione Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)C(=C(N1)N(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=S)C(=C(N1)N(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O2S/c1-12-18-16(15(21(22)23)17(24)19-12)20(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19,24)