N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)NCCSCC4=CC=CC=C4C#N)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)NCCSCC4=CC=CC=C4C#N)C(=O)N2C1

InChI

InChI=1S/C22H20N4O2S/c23-13-16-4-1-2-5-17(16)14-29-11-9-24-21(27)15-7-8-18-19(12-15)25-20-6-3-10-26(20)22(18)28/h1-2,4-5,7-8,12H,3,6,9-11,14H2,(H,24,27)