[1-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-(4-methoxyphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(4-methoxyphenyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-piperidino-methanone Formula: C20H22N6O2S MolecularWeight: 410.49268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2S/c1-28-16-8-6-15(7-9-16)26-17(14-29-20-21-10-5-11-22-20)18(23-24-26)19(27)25-12-3-2-4-13-25/h5-11H,2-4,12-14H2,1H3