2-fluoranyl-6-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[oxo-(4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazino]benzonitrile Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C20H16FN5O2S/c21-15-2-1-3-17(14(15)11-22)25-6-8-26(9-7-25)19(28)12-4-5-13-16(10-12)23-20(29)24-18(13)27/h1-5,10H,6-9H2,(H2,23,24,27,29)