3-decylaziridin-2-one; 2,6-diphenylthiane

Systemtic Name: 3-decylaziridin-2-one; 2,6-diphenylthiane Openeye Name: 3-decylaziridin-2-one; 2,6-diphenyltetrahydrothiopyran CAS Name: 3-decyl-2-aziridinone; 2,6-diphenylthiane IUPAC Name: 3-decylaziridin-2-one; 2,6-diphenylthiane Traditional Name: 3-decylethylenimin-2-one; 2,6-diphenyltetrahydrothiopyran Formula: C29H41NOS MolecularWeight: 451.70694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(=O)N1.C1CC(SC(C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC1C(=O)N1.C1CC(SC(C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H18S.C12H23NO/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-2-3-4-5-6-7-8-9-10-11-12(14)13-11/h1-6,8-11,16-17H,7,12-13H2;11H,2-10H2,1H3,(H,13,14)