2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-1H-quinazolin-4-one Formula: C16H11N3O2S MolecularWeight: 309.34244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H11N3O2S/c20-15-10-5-1-2-6-11(10)17-14(19-15)9-22-16-18-12-7-3-4-8-13(12)21-16/h1-8H,9H2,(H,17,19,20)