3-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-furylmethyl)-2-(p-tolylmethylsulfanyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-furfuryl)-2-[(4-methylbenzyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5

InChI

InChI=1S/C23H22N2O2S2/c1-15-8-10-16(11-9-15)14-28-23-24-21-20(18-6-2-3-7-19(18)29-21)22(26)25(23)13-17-5-4-12-27-17/h4-5,8-12H,2-3,6-7,13-14H2,1H3