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

Systemtic Name: (2-methylpiperidin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: (2-methyl-1-piperidyl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: (2-methyl-1-piperidinyl)-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: (2-methylpiperidin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: (2-methylpiperidino)-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

CC1CCCCN1C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H22N6OS/c1-15-8-5-6-13-25(15)19(27)18-17(14-28-20-21-11-7-12-22-20)26(24-23-18)16-9-3-2-4-10-16/h2-4,7,9-12,15H,5-6,8,13-14H2,1H3