2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(2-nitrophenyl)sulfonylpiperazino]-6-phenyl-pyrimidine-5-carbonitrile Formula: C29H24N8O4S2 MolecularWeight: 612.68206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6[N+](=O)[O-]

InChI

InChI=1S/C29H24N8O4S2/c30-18-21-27(20-8-2-1-3-9-20)33-29(42-19-26-31-22-10-4-5-11-23(22)32-26)34-28(21)35-14-16-36(17-15-35)43(40,41)25-13-7-6-12-24(25)37(38)39/h1-13H,14-17,19H2,(H,31,32)