6-(5-chloranyl-2-oxidanyl-phenyl)-4-(3-nitrophenyl)-5,6-dihydro-1H-pyrimidine-2-thione

Systemtic Name: 6-(5-chloranyl-2-oxidanyl-phenyl)-4-(3-nitrophenyl)-5,6-dihydro-1H-pyrimidine-2-thione Openeye Name: 6-(5-chloro-2-hydroxy-phenyl)-4-(3-nitrophenyl)-5,6-dihydro-1H-pyrimidine-2-thione CAS Name: 6-(5-chloro-2-hydroxyphenyl)-4-(3-nitrophenyl)-5,6-dihydro-1H-pyrimidine-2-thione IUPAC Name: 6-(5-chloro-2-hydroxyphenyl)-4-(3-nitrophenyl)-5,6-dihydro-1H-pyrimidine-2-thione Traditional Name: 6-(5-chloro-2-hydroxy-phenyl)-4-(3-nitrophenyl)-5,6-dihydro-1H-pyrimidine-2-thione Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C(NC(=S)N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C16H12ClN3O3S/c17-10-4-5-15(21)12(7-10)14-8-13(18-16(24)19-14)9-2-1-3-11(6-9)20(22)23/h1-7,14,21H,8H2,(H,19,24)