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

Systemtic Name: 2-[[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methylsulfanyl]-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methylthio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methylthio]-3-cyclopropyl-quinazolin-4-one Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CSC(=N4)COC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CSC(=N4)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H18ClN3O2S2/c23-14-5-9-17(10-6-14)28-11-20-24-15(12-29-20)13-30-22-25-19-4-2-1-3-18(19)21(27)26(22)16-7-8-16/h1-6,9-10,12,16H,7-8,11,13H2