5-(4-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one

Systemtic Name: 5-(4-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one Openeye Name: 5-(4-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one CAS Name: 5-(4-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one IUPAC Name: 5-(4-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one Traditional Name: 5-(4-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one Formula: C13H10ClN2OS+ MolecularWeight: 277.7493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=C([NH2+]1)C3=CC=C(C=C3)Cl)C=CS2

Isomeric SMILES

C1C(=O)N=C2C(=C([NH2+]1)C3=CC=C(C=C3)Cl)C=CS2

InChI

InChI=1S/C13H9ClN2OS/c14-9-3-1-8(2-4-9)12-10-5-6-18-13(10)16-11(17)7-15-12/h1-6,15H,7H2/p+1