2-methyl-5-[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-methyl-5-[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-2-methyl-oxazole-4-carbonitrile CAS Name: 2-methyl-5-[4-[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-[(1-benzylimidazol-2-yl)thio]acetyl]piperazino]-2-methyl-oxazole-4-carbonitrile Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC=CN3CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC=CN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H22N6O2S/c1-16-24-18(13-22)20(29-16)26-11-9-25(10-12-26)19(28)15-30-21-23-7-8-27(21)14-17-5-3-2-4-6-17/h2-8H,9-12,14-15H2,1H3