N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2H-chromene-3-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2H-chromene-3-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2H-chromene-3-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2H-chromene-3-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2H-chromene-3-carboxamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3)C

InChI

InChI=1S/C22H19N3O2S/c1-14-11-15(2)24-22(23-14)28-19-9-7-18(8-10-19)25-21(26)17-12-16-5-3-4-6-20(16)27-13-17/h3-12H,13H2,1-2H3,(H,25,26)