4-[[(2-methoxypyrimidin-4-yl)amino]methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one

Systemtic Name: 4-[[(2-methoxypyrimidin-4-yl)amino]methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one Openeye Name: 2-benzylsulfanyl-4-[[(2-methoxypyrimidin-4-yl)amino]methylene]thiazol-5-one CAS Name: 4-[[(2-methoxy-4-pyrimidinyl)amino]methylidene]-2-(phenylmethylthio)-5-thiazolone IUPAC Name: 2-benzylsulfanyl-4-[[(2-methoxypyrimidin-4-yl)amino]methylidene]-1,3-thiazol-5-one Traditional Name: 2-(benzylthio)-4-[[(2-methoxypyrimidin-4-yl)amino]methylene]-2-thiazolin-5-one Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=N1)NC=C2C(=O)SC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=NC=CC(=N1)NC=C2C(=O)SC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S2/c1-22-15-17-8-7-13(20-15)18-9-12-14(21)24-16(19-12)23-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18,20)