2-methyl-5-[4-(2-quinolin-2-ylsulfanylethanoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-methyl-5-[4-(2-quinolin-2-ylsulfanylethanoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-methyl-5-[4-[2-(2-quinolylsulfanyl)acetyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-methyl-5-[4-[1-oxo-2-(2-quinolinylthio)ethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-methyl-5-[4-(2-quinolin-2-ylsulfanylacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-methyl-5-[4-[2-(2-quinolylthio)acetyl]piperazino]oxazole-4-carbonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C20H19N5O2S/c1-14-22-17(12-21)20(27-14)25-10-8-24(9-11-25)19(26)13-28-18-7-6-15-4-2-3-5-16(15)23-18/h2-7H,8-11,13H2,1H3