4,6-dimethyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4OS/c1-15-12-16(2)22-20(18(15)13-21)26-14-19(25)24-10-8-23(9-11-24)17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3