2-[5-(4-bromophenyl)-2-oxidanylidene-3H-thieno[2,3-e][1,4]diazepin-1-yl]ethanenitrile

Systemtic Name: 2-[5-(4-bromophenyl)-2-oxidanylidene-3H-thieno[2,3-e][1,4]diazepin-1-yl]ethanenitrile Openeye Name: 2-[5-(4-bromophenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile CAS Name: 2-[5-(4-bromophenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile IUPAC Name: 2-[5-(4-bromophenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile Traditional Name: 2-[5-(4-bromophenyl)-2-keto-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile Formula: C15H10BrN3OS MolecularWeight: 360.2284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=CS2)C(=N1)C3=CC=C(C=C3)Br)CC#N

Isomeric SMILES

C1C(=O)N(C2=C(C=CS2)C(=N1)C3=CC=C(C=C3)Br)CC#N

InChI

InChI=1S/C15H10BrN3OS/c16-11-3-1-10(2-4-11)14-12-5-8-21-15(12)19(7-6-17)13(20)9-18-14/h1-5,8H,7,9H2