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

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Formula: C25H23ClN2OS2 MolecularWeight: 467.04592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C25H23ClN2OS2/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/h4-6,8-11,14-15H,1-3,7,12-13,16H2