3-(1-oxidanylbutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1-oxidanylbutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-(hydroxymethyl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1-hydroxybutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1-hydroxybutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(1-methylolpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CCC(CO)N1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C12H14N2O2S/c1-2-8(7-15)14-11(16)9-5-3-4-6-10(9)13-12(14)17/h3-6,8,15H,2,7H2,1H3,(H,13,17)