2-oxidanyl-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate

Systemtic Name: 2-oxidanyl-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate Openeye Name: 2-hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate CAS Name: 2-hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate IUPAC Name: 2-hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)propanimidothioate Traditional Name: 2-hydroxy-N-phenyl-2-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)thiopropionimidate Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[NH+]CCCN1)(C(=NC2=CC=CC=C2)[S-])O

Isomeric SMILES

CC(C1=[NH+]CCCN1)(C(=NC2=CC=CC=C2)[S-])O

InChI

InChI=1S/C13H17N3OS/c1-13(17,11-14-8-5-9-15-11)12(18)16-10-6-3-2-4-7-10/h2-4,6-7,17H,5,8-9H2,1H3,(H,14,15)(H,16,18)