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

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-12-17(14-27-2)19(13-22)21(23-16)28-15-20(26)25-10-8-24(9-11-25)18-6-4-3-5-7-18/h3-7,12H,8-11,14-15H2,1-2H3