5-(3-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine

Systemtic Name: 5-(3-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine Openeye Name: 5-(3-methylisoxazol-5-yl)-N,N-dipropyl-thiochroman-3-amine CAS Name: 5-(3-methyl-5-isoxazolyl)-N,N-dipropyl-3,4-dihydro-2H-1-benzothiopyran-3-amine IUPAC Name: 5-(3-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine Traditional Name: [5-(3-methylisoxazol-5-yl)thiochroman-3-yl]-dipropyl-amine Formula: C19H26N2OS MolecularWeight: 330.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CC2=C(C=CC=C2SC1)C3=CC(=NO3)C

Isomeric SMILES

CCCN(CCC)C1CC2=C(C=CC=C2SC1)C3=CC(=NO3)C

InChI

InChI=1S/C19H26N2OS/c1-4-9-21(10-5-2)15-12-17-16(18-11-14(3)20-22-18)7-6-8-19(17)23-13-15/h6-8,11,15H,4-5,9-10,12-13H2,1-3H3