4-(4-chlorophenyl)sulfanyl-6-ethoxy-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-ethoxy-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-ethoxy-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-ethoxy-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-ethoxy-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-ethoxy-5-nitro-pyrimidine Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O3S/c1-2-19-11-10(16(17)18)12(15-7-14-11)20-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3