4-methoxy-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-methoxy-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-methoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4-methoxy-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-methoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methoxy-nicotinonitrile Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC1=C(C(=NC=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H20N4O2S/c1-25-17-7-8-21-19(16(17)13-20)26-14-18(24)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8H,9-12,14H2,1H3