N-(2-chloranyl-5-nitro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C15H15ClN6O2S MolecularWeight: 378.8366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15ClN6O2S/c16-12-3-2-11(22(23)24)10-13(12)19-15(25)21-8-6-20(7-9-21)14-17-4-1-5-18-14/h1-5,10H,6-9H2,(H,19,25)