[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(4-chlorophenyl)thio]-5-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(4-chlorophenyl)thio]-5-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O3S/c22-15-2-5-17(6-3-15)31-19-7-4-16(27(29)30)14-18(19)20(28)25-10-12-26(13-11-25)21-23-8-1-9-24-21/h1-9,14H,10-13H2