3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propionamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C20H17N5O2S/c26-18(22-14-5-3-4-13(12-14)16-8-10-21-24-16)9-11-25-19(27)15-6-1-2-7-17(15)23-20(25)28/h1-8,10,12H,9,11H2,(H,21,24)(H,22,26)(H,23,28)