3-[4-(4-chlorophenyl)sulfanylbutyl]quinazolin-4-one

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanylbutyl]quinazolin-4-one Openeye Name: 3-[4-(4-chlorophenyl)sulfanylbutyl]quinazolin-4-one CAS Name: 3-[4-[(4-chlorophenyl)thio]butyl]-4-quinazolinone IUPAC Name: 3-[4-(4-chlorophenyl)sulfanylbutyl]quinazolin-4-one Traditional Name: 3-[4-[(4-chlorophenyl)thio]butyl]quinazolin-4-one Formula: C18H17ClN2OS MolecularWeight: 344.85838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2OS/c19-14-7-9-15(10-8-14)23-12-4-3-11-21-13-20-17-6-2-1-5-16(17)18(21)22/h1-2,5-10,13H,3-4,11-12H2