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

Systemtic Name: 5-methyl-2-phenethylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-2-phenethylsulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-2-(phenethylthio)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 5-methyl-2-phenethylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-2-(phenethylthio)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H24N2OS2 MolecularWeight: 432.60086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCC5=CC=CC=C5

Isomeric SMILES

CC1CCCC2=C1C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCC5=CC=CC=C5

InChI

InChI=1S/C25H24N2OS2/c1-17-9-8-14-20-21(17)22-23(30-20)26-25(29-16-15-18-10-4-2-5-11-18)27(24(22)28)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-16H2,1H3