1-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[4-(4-acetylphenyl)piperazino]methyl]-4,5,6-trimethyl-2-thioxo-nicotinonitrile Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C22H26N4OS/c1-15-16(2)21(13-23)22(28)26(17(15)3)14-24-9-11-25(12-10-24)20-7-5-19(6-8-20)18(4)27/h5-8H,9-12,14H2,1-4H3