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

Systemtic Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-phenyl-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyltriazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-phenyl-triazol-4-yl]-pyrrolidino-methanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C20H22N6OS/c1-14-12-15(2)22-20(21-14)28-13-17-18(19(27)25-10-6-7-11-25)23-24-26(17)16-8-4-3-5-9-16/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3