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

Systemtic Name: 4,6-dimethyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C22H26N4OS/c1-16-5-4-6-19(11-16)14-25-7-9-26(10-8-25)21(27)15-28-22-20(13-23)17(2)12-18(3)24-22/h4-6,11-12H,7-10,14-15H2,1-3H3