3-ethyl-4-oxidanylidene-N-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-4-oxo-N-(3-pyrazol-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-4-oxo-N-[3-(1-pyrazolyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-4-oxo-N-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-(3-pyrazol-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H19N5O2S MolecularWeight: 357.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)NC1=S

InChI

InChI=1S/C17H19N5O2S/c1-2-22-16(24)13-6-5-12(11-14(13)20-17(22)25)15(23)18-7-3-9-21-10-4-8-19-21/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,18,23)(H,20,25)