N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[5-[(3-nitrophenyl)methyl]-2-thiazolyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[5-(3-nitrobenzyl)thiazol-2-yl]-2-(2-pyrimidylthio)acetamide Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CN=C(S2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CN=C(S2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H13N5O3S2/c22-14(10-25-15-17-5-2-6-18-15)20-16-19-9-13(26-16)8-11-3-1-4-12(7-11)21(23)24/h1-7,9H,8,10H2,(H,19,20,22)