[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[(3-methylisoxazol-5-yl)methyl]piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-16-14-17(27-23-16)15-24-10-12-25(13-11-24)21(26)19-8-5-9-22-20(19)28-18-6-3-2-4-7-18/h2-9,14H,10-13,15H2,1H3