[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-triazol-4-yl]-(1-piperidyl)methanone CAS Name: [5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-phenyl-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyltriazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-phenyl-triazol-4-yl]-piperidino-methanone Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)N4CCCCC4)C

InChI

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