3,4-dihydro-2H-1,5-benzothiazepin-5-yl(pyrazin-2-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl(pyrazin-2-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl(pyrazin-2-yl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl(2-pyrazinyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl(pyrazin-2-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl(pyrazin-2-yl)methanone Formula: C14H13N3OS MolecularWeight: 271.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H13N3OS/c18-14(11-10-15-6-7-16-11)17-8-3-9-19-13-5-2-1-4-12(13)17/h1-2,4-7,10H,3,8-9H2