6-ethyl-2-(4-hydroxyphenyl)sulfanyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 6-ethyl-2-(4-hydroxyphenyl)sulfanyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-ethyl-2-(4-hydroxyphenyl)sulfanyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-ethyl-2-[(4-hydroxyphenyl)thio]-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-ethyl-2-(4-hydroxyphenyl)sulfanyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-ethyl-2-[(4-hydroxyphenyl)thio]-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H14N3O2S2+ MolecularWeight: 320.40986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=[N+](C1=O)N=C(S2)SC3=CC=C(C=C3)O)C

Isomeric SMILES

CCC1=C(NC2=[N+](C1=O)N=C(S2)SC3=CC=C(C=C3)O)C

InChI

InChI=1S/C14H13N3O2S2/c1-3-11-8(2)15-13-17(12(11)19)16-14(21-13)20-10-6-4-9(18)5-7-10/h4-7,18H,3H2,1-2H3/p+1