2-(2-chloranyl-4-nitro-phenyl)sulfanyl-1-cyclohexyl-5,6-dihydro-4H-pyrimidine

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)sulfanyl-1-cyclohexyl-5,6-dihydro-4H-pyrimidine Openeye Name: 2-(2-chloro-4-nitro-phenyl)sulfanyl-1-cyclohexyl-5,6-dihydro-4H-pyrimidine CAS Name: 2-[(2-chloro-4-nitrophenyl)thio]-1-cyclohexyl-5,6-dihydro-4H-pyrimidine IUPAC Name: 2-(2-chloro-4-nitrophenyl)sulfanyl-1-cyclohexyl-5,6-dihydro-4H-pyrimidine Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thio]-1-cyclohexyl-5,6-dihydro-4H-pyrimidine Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)N2CCCN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN3O2S/c17-14-11-13(20(21)22)7-8-15(14)23-16-18-9-4-10-19(16)12-5-2-1-3-6-12/h7-8,11-12H,1-6,9-10H2