3-[4-(4-fluorophenyl)-5-oxidanylidene-2-sulfanylidene-4,6,7,8-tetrahydro-1H-quinazolin-3-yl]propanenitrile

Systemtic Name: 3-[4-(4-fluorophenyl)-5-oxidanylidene-2-sulfanylidene-4,6,7,8-tetrahydro-1H-quinazolin-3-yl]propanenitrile Openeye Name: 3-[4-(4-fluorophenyl)-5-oxo-2-thioxo-4,6,7,8-tetrahydro-1H-quinazolin-3-yl]propanenitrile CAS Name: 3-[4-(4-fluorophenyl)-5-oxo-2-sulfanylidene-4,6,7,8-tetrahydro-1H-quinazolin-3-yl]propanenitrile IUPAC Name: 3-[4-(4-fluorophenyl)-5-oxo-2-sulfanylidene-4,6,7,8-tetrahydro-1H-quinazolin-3-yl]propanenitrile Traditional Name: 3-[4-(4-fluorophenyl)-5-keto-2-thioxo-4,6,7,8-tetrahydro-1H-quinazolin-3-yl]propionitrile Formula: C17H16FN3OS MolecularWeight: 329.391843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N(C(=S)N2)CCC#N)C3=CC=C(C=C3)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(N(C(=S)N2)CCC#N)C3=CC=C(C=C3)F)C(=O)C1

InChI

InChI=1S/C17H16FN3OS/c18-12-7-5-11(6-8-12)16-15-13(3-1-4-14(15)22)20-17(23)21(16)10-2-9-19/h5-8,16H,1-4,10H2,(H,20,23)