3-(4-methylphenyl)-5-oxidanylidene-N-prop-2-enyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 3-(4-methylphenyl)-5-oxidanylidene-N-prop-2-enyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-allyl-5-oxo-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-(4-methylphenyl)-5-oxo-N-prop-2-enyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-(4-methylphenyl)-5-oxo-N-prop-2-enyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-allyl-5-keto-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)NCC=C

InChI

InChI=1S/C17H15N3O2S/c1-3-8-18-15(21)13-9-19-17-20(16(13)22)14(10-23-17)12-6-4-11(2)5-7-12/h3-7,9-10H,1,8H2,2H3,(H,18,21)/p+1