N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylthio)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H19N5OS/c1-25(12-16-11-24-26(13-16)17-7-3-2-4-8-17)20(27)14-28-21-18-9-5-6-10-19(18)22-15-23-21/h2-11,13,15H,12,14H2,1H3