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

Systemtic Name: [1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: 1-piperidyl-[1-(p-tolyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: [1-(4-methylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: piperidino-[1-(p-tolyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H22N6OS/c1-15-6-8-16(9-7-15)26-17(14-28-20-21-10-5-11-22-20)18(23-24-26)19(27)25-12-3-2-4-13-25/h5-11H,2-4,12-14H2,1H3