4-(4,6-diphenylpyrimidin-2-yl)sulfanylbut-2-yn-1-ol

Systemtic Name: 4-(4,6-diphenylpyrimidin-2-yl)sulfanylbut-2-yn-1-ol Openeye Name: 4-(4,6-diphenylpyrimidin-2-yl)sulfanylbut-2-yn-1-ol CAS Name: 4-[(4,6-diphenyl-2-pyrimidinyl)thio]-2-butyn-1-ol IUPAC Name: 4-(4,6-diphenylpyrimidin-2-yl)sulfanylbut-2-yn-1-ol Traditional Name: 4-[(4,6-diphenylpyrimidin-2-yl)thio]but-2-yn-1-ol Formula: C20H16N2OS MolecularWeight: 332.41884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC#CCO)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC#CCO)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2OS/c23-13-7-8-14-24-20-21-18(16-9-3-1-4-10-16)15-19(22-20)17-11-5-2-6-12-17/h1-6,9-12,15,23H,13-14H2