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

Systemtic Name: 7-tert-butyl-2-butylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 7-tert-butyl-2-butylsulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-(butylthio)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-tert-butyl-2-butylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 7-tert-butyl-2-(butylthio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H32N2OS2 MolecularWeight: 440.66438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C25H32N2OS2/c1-6-7-14-29-24-26-22-21(23(28)27(24)18-11-8-16(2)9-12-18)19-13-10-17(25(3,4)5)15-20(19)30-22/h8-9,11-12,17H,6-7,10,13-15H2,1-5H3