5-[5-(3-azanyl-1,2,5-trimethyl-1,2,4-benzotriazepin-5-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[5-(3-azanyl-1,2,5-trimethyl-1,2,4-benzotriazepin-5-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-(3-amino-1,2,5-trimethyl-1,2,4-benzotriazepin-5-yl)-2-thienyl]-2-fluoro-benzonitrile CAS Name: 5-[5-(3-amino-1,2,5-trimethyl-1,2,4-benzotriazepin-5-yl)-2-thiophenyl]-2-fluorobenzonitrile IUPAC Name: 5-[5-(3-amino-1,2,5-trimethyl-1,2,4-benzotriazepin-5-yl)thiophen-2-yl]-2-fluorobenzonitrile Traditional Name: 5-[5-(3-amino-1,2,5-trimethyl-1,2,4-benzotriazepin-5-yl)-2-thienyl]-2-fluoro-benzonitrile Formula: C22H20FN5S MolecularWeight: 405.491103

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(N(C(=N1)N)C)C)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

CC1(C2=CC=CC=C2N(N(C(=N1)N)C)C)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C22H20FN5S/c1-22(16-6-4-5-7-18(16)27(2)28(3)21(25)26-22)20-11-10-19(29-20)14-8-9-17(23)15(12-14)13-24/h4-12H,1-3H3,(H2,25,26)