2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]piperazino]pyrimidine Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C21H20ClN5O2S/c22-17-3-5-18(6-4-17)30-20-7-2-16(14-19(20)27(28)29)15-25-10-12-26(13-11-25)21-23-8-1-9-24-21/h1-9,14H,10-13,15H2