4-ethyl-5-methyl-2-(4-nitrophenyl)sulfanyl-pyrimidine

Systemtic Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfanyl-pyrimidine Openeye Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfanyl-pyrimidine CAS Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)thio]pyrimidine IUPAC Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfanylpyrimidine Traditional Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)thio]pyrimidine Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NC=C1C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2S/c1-3-12-9(2)8-14-13(15-12)19-11-6-4-10(5-7-11)16(17)18/h4-8H,3H2,1-2H3