2-(1,2-benzoxazol-3-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide Openeye Name: 2-(1,2-benzoxazol-3-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide CAS Name: 2-(1,2-benzoxazol-3-yl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]acetamide IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-indoxazen-3-yl-acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC3=NOC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC3=NOC4=CC=CC=C43)C

InChI

InChI=1S/C21H18N4O2S/c1-13-11-14(2)23-21(22-13)28-16-9-7-15(8-10-16)24-20(26)12-18-17-5-3-4-6-19(17)27-25-18/h3-11H,12H2,1-2H3,(H,24,26)