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

Systemtic Name: 3-(phenylmethyl)-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one Openeye Name: 3-benzyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one CAS Name: 3-(phenylmethyl)-2-(prop-2-ynylthio)-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one IUPAC Name: 3-benzyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one Traditional Name: 3-benzyl-2-(propargylthio)-5,6,7,8-tetrahydrothiochromen[2,3-d]imidazol-9-one Formula: C20H18N2OS2 MolecularWeight: 366.49972

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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/C20H18N2OS2/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/h1,3-5,8-9H,6-7,10-13H2