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

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: (3,5-dimethylpiperidino)-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C21H24N6OS MolecularWeight: 408.51986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4)C

InChI

InChI=1S/C21H24N6OS/c1-15-11-16(2)13-26(12-15)20(28)19-18(14-29-21-22-9-6-10-23-21)27(25-24-19)17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3