2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3S/c24-15-17-5-1-3-7-20(17)32-21-8-4-2-6-19(21)23(29)27-13-11-26(12-14-27)18-9-10-22(25-16-18)28(30)31/h1-10,16H,11-14H2