2-(butylsulfanylmethyl)-6,8-bis(chloranyl)-3-(2,6-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-(butylsulfanylmethyl)-6,8-bis(chloranyl)-3-(2,6-dimethylphenyl)quinazolin-4-one Openeye Name: 2-(butylsulfanylmethyl)-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(butylthio)methyl]-6,8-dichloro-3-(2,6-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-(butylsulfanylmethyl)-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(butylthio)methyl]-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one Formula: C21H22Cl2N2OS MolecularWeight: 421.38318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=NC2=C(C=C(C=C2C(=O)N1C3=C(C=CC=C3C)C)Cl)Cl

Isomeric SMILES

CCCCSCC1=NC2=C(C=C(C=C2C(=O)N1C3=C(C=CC=C3C)C)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2OS/c1-4-5-9-27-12-18-24-19-16(10-15(22)11-17(19)23)21(26)25(18)20-13(2)7-6-8-14(20)3/h6-8,10-11H,4-5,9,12H2,1-3H3