2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(hexylthio)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(hexylthio)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS2/c1-2-3-4-10-15-26-22-23-20-19(17-13-8-9-14-18(17)27-20)21(25)24(22)16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3