N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-piperonylamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H17N3O3S/c1-12-9-13(2)22-20(21-12)27-16-6-4-15(5-7-16)23-19(24)14-3-8-17-18(10-14)26-11-25-17/h3-10H,11H2,1-2H3,(H,23,24)