N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19N3O3S/c1-13-9-14(2)23-21(22-13)28-11-15-5-3-4-6-17(15)20(25)24-16-7-8-18-19(10-16)27-12-26-18/h3-10H,11-12H2,1-2H3,(H,24,25)