5-nitroso-2-nonyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-nitroso-2-nonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-nitroso-2-nonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-nitroso-2-nonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-nitroso-2-nonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-nitroso-2-nonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCN(C2=CC=CC=C2S1)N=O

Isomeric SMILES

CCCCCCCCCC1CCN(C2=CC=CC=C2S1)N=O

InChI

InChI=1S/C18H28N2OS/c1-2-3-4-5-6-7-8-11-16-14-15-20(19-21)17-12-9-10-13-18(17)22-16/h9-10,12-13,16H,2-8,11,14-15H2,1H3