1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-1-[(4-o-phenetylpiperazino)methyl]-2-thioxo-nicotinonitrile Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=CC(=C(C3=S)C#N)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=CC(=C(C3=S)C#N)C)C

InChI

InChI=1S/C21H26N4OS/c1-4-26-20-8-6-5-7-19(20)24-11-9-23(10-12-24)15-25-17(3)13-16(2)18(14-22)21(25)27/h5-8,13H,4,9-12,15H2,1-3H3