2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-[(2-methoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-o-anisyl-quinazolin-4-one Formula: C25H19ClN2O2S2 MolecularWeight: 479.01356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN2O2S2/c1-30-22-9-5-2-6-16(22)13-28-24(29)19-7-3-4-8-21(19)27-25(28)32-15-17-14-31-23-11-10-18(26)12-20(17)23/h2-12,14H,13,15H2,1H3