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

Systemtic Name: 5-nitroso-2-pentyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-nitroso-2-pentyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-nitroso-2-pentyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-nitroso-2-pentyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-amyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine Formula: C14H20N2OS MolecularWeight: 264.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCN(C2=CC=CC=C2S1)N=O

Isomeric SMILES

CCCCCC1CCN(C2=CC=CC=C2S1)N=O

InChI

InChI=1S/C14H20N2OS/c1-2-3-4-7-12-10-11-16(15-17)13-8-5-6-9-14(13)18-12/h5-6,8-9,12H,2-4,7,10-11H2,1H3