2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-1H-quinazolin-4-one Formula: C16H13ClN2OS MolecularWeight: 316.80522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2OS/c17-12-7-5-11(6-8-12)9-21-10-15-18-14-4-2-1-3-13(14)16(20)19-15/h1-8H,9-10H2,(H,18,19,20)