2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[7-(2-benzotriazolyl)-5-methyl-1,3-benzoxazol-2-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]thio]-1-piperidino-ethanone Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=N2)SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=N2)SCC(=O)N5CCCCC5

InChI

InChI=1S/C21H21N5O2S/c1-14-11-17-20(18(12-14)26-23-15-7-3-4-8-16(15)24-26)28-21(22-17)29-13-19(27)25-9-5-2-6-10-25/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3