2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C27H24N4O2S MolecularWeight: 468.57006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2S/c32-17-9-16-30-26(33)23-14-7-8-15-24(23)28-27(30)34-19-21-18-31(22-12-5-2-6-13-22)29-25(21)20-10-3-1-4-11-20/h1-8,10-15,18,32H,9,16-17,19H2