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

Systemtic Name: azepan-1-yl-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-1,2,3-triazol-4-yl]methanone Openeye Name: azepan-1-yl-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-triazol-4-yl]methanone CAS Name: 1-azepanyl-[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-phenyl-4-triazolyl]methanone IUPAC Name: azepan-1-yl-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyltriazol-4-yl]methanone Traditional Name: azepan-1-yl-[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-phenyl-triazol-4-yl]methanone Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H26N6OS/c1-16-14-17(2)24-22(23-16)30-15-19-20(21(29)27-12-8-3-4-9-13-27)25-26-28(19)18-10-6-5-7-11-18/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3