4-(4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbothioylbenzenecarbonitrile

Systemtic Name: 4-(4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbothioylbenzenecarbonitrile Openeye Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioyl)benzonitrile CAS Name: 4-[(4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]yl)-sulfanylidenemethyl]benzonitrile IUPAC Name: 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioyl)benzonitrile Traditional Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioyl)benzonitrile Formula: C20H18FN5S MolecularWeight: 379.453823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=S)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=S)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H18FN5S/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-11H2,(H2,23,25)