3-(phenylmethyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one

Systemtic Name: 3-(phenylmethyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one Openeye Name: 2-allylsulfanyl-3-benzyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one CAS Name: 3-(phenylmethyl)-2-(prop-2-enylthio)-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one IUPAC Name: 3-benzyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one Traditional Name: 2-(allylthio)-3-benzyl-5,6,7,8-tetrahydrothiochromen[2,3-d]imidazol-9-one Formula: C20H20N2OS2 MolecularWeight: 368.5156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(N1CC3=CC=CC=C3)SC4=C(C2=O)CCCC4

Isomeric SMILES

C=CCSC1=NC2=C(N1CC3=CC=CC=C3)SC4=C(C2=O)CCCC4

InChI

InChI=1S/C20H20N2OS2/c1-2-12-24-20-21-17-18(23)15-10-6-7-11-16(15)25-19(17)22(20)13-14-8-4-3-5-9-14/h2-5,8-9H,1,6-7,10-13H2