3-(phenylmethyl)-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one

Systemtic Name: 3-(phenylmethyl)-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one Openeye Name: 3-benzyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one CAS Name: 3-(phenylmethyl)-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one IUPAC Name: 3-benzyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one Traditional Name: 3-benzyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one Formula: C18H17N2OS+ MolecularWeight: 309.40538

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C18H16N2OS/c21-17-14-8-4-5-9-16(14)22-18-15(17)11-20(12-19-18)10-13-6-2-1-3-7-13/h1-9,19H,10-12H2/p+1