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

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-phenethyl-quinazolin-4-one Formula: C25H19ClN2OS2 MolecularWeight: 463.01416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN2OS2/c26-19-10-11-23-21(14-19)18(15-30-23)16-31-25-27-22-9-5-4-8-20(22)24(29)28(25)13-12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2