2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-cyclohexyl-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C23H21ClN2OS2 MolecularWeight: 441.00864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H21ClN2OS2/c24-16-8-6-7-15(13-16)14-28-23-25-20-18-11-4-5-12-19(18)29-21(20)22(27)26(23)17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2