4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione

Systemtic Name: 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione Openeye Name: 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione CAS Name: 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione IUPAC Name: 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione Traditional Name: 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C13H15N3O2S/c1-9-8-13(2,3)14-12(19)15(9)10-4-6-11(7-5-10)16(17)18/h4-8H,1-3H3,(H,14,19)