2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(2-ethylthiazol-4-yl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[(2-ethyl-4-thiazolyl)methylthio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(2-ethylthiazol-4-yl)methylthio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=NC(=CS1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

InChI

InChI=1S/C22H21N3OS2/c1-3-20-23-17(13-27-20)14-28-22-24-19-7-5-4-6-18(19)21(26)25(22)12-16-10-8-15(2)9-11-16/h4-11,13H,3,12,14H2,1-2H3