6-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-6-(4-methoxyphenyl)nicotinonitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C20H22N4O2S/c1-23-9-11-24(12-10-23)19(25)14-27-20-16(13-21)5-8-18(22-20)15-3-6-17(26-2)7-4-15/h3-8H,9-12,14H2,1-2H3