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

Systemtic Name: 4,6-dimethyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-15-13-16(2)23-20(19(15)14-22)27-17(3)21(26)25-11-9-24(10-12-25)18-7-5-4-6-8-18/h4-8,13,17H,9-12H2,1-3H3