2-[2-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-33-19-10-11-21(22(16-19)29(31)32)27-12-14-28(15-13-27)25(30)20-7-3-5-9-24(20)34-23-8-4-2-6-18(23)17-26/h2-11,16H,12-15H2,1H3