2-[2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C24H20N4O3S/c25-17-18-5-1-3-7-22(18)32-23-8-4-2-6-21(23)24(29)27-15-13-26(14-16-27)19-9-11-20(12-10-19)28(30)31/h1-12H,13-16H2