7-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H12N5OS3+ MolecularWeight: 338.45158

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C12H11N5OS3/c1-2-3-13-10-15-16-12(21-10)20-7-8-6-9(18)17-4-5-19-11(17)14-8/h2,4-6H,1,3,7H2,(H,13,15)/p+1