5-[5-(3-azanyl-2,5-dimethyl-1-oxidanylidene-2,4-benzodiazepin-5-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[5-(3-azanyl-2,5-dimethyl-1-oxidanylidene-2,4-benzodiazepin-5-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-(3-amino-2,5-dimethyl-1-oxo-2,4-benzodiazepin-5-yl)-2-thienyl]-2-fluoro-benzonitrile CAS Name: 5-[5-(3-amino-2,5-dimethyl-1-oxo-2,4-benzodiazepin-5-yl)-2-thiophenyl]-2-fluorobenzonitrile IUPAC Name: 5-[5-(3-amino-2,5-dimethyl-1-oxo-2,4-benzodiazepin-5-yl)thiophen-2-yl]-2-fluorobenzonitrile Traditional Name: 5-[5-(3-amino-1-keto-2,5-dimethyl-2,4-benzodiazepin-5-yl)-2-thienyl]-2-fluoro-benzonitrile Formula: C22H17FN4OS MolecularWeight: 404.459983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C(=N1)N)C)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C(=N1)N)C)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C22H17FN4OS/c1-22(16-6-4-3-5-15(16)20(28)27(2)21(25)26-22)19-10-9-18(29-19)13-7-8-17(23)14(11-13)12-24/h3-11H,1-2H3,(H2,25,26)