N-methyl-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: N-methyl-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: N-methyl-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: N-methyl-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: N-methyl-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H21N5O2S/c1-25(14-16-13-23-27(15-16)17-7-3-2-4-8-17)20(28)11-12-26-21(29)18-9-5-6-10-19(18)24-22(26)30/h2-10,13,15H,11-12,14H2,1H3,(H,24,30)