2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H32N2OS2 MolecularWeight: 452.67508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C)C)C(C)(C)C

InChI

InChI=1S/C26H32N2OS2/c1-7-12-28-24(29)22-19-10-8-9-11-21(19)31-23(22)27-25(28)30-15-20-16(2)13-18(14-17(20)3)26(4,5)6/h7,13-14H,1,8-12,15H2,2-6H3