7-tert-butyl-2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-tert-butyl-2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 7-tert-butyl-2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-[4-(methylthio)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-tert-butyl-2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 7-tert-butyl-2-[4-(methylthio)phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H24N2OS2 MolecularWeight: 384.55806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H24N2OS2/c1-21(2,3)13-7-10-15-16(11-13)26-20-17(15)19(24)22-18(23-20)12-5-8-14(25-4)9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,22,23,24)