(2S)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-[4-(3-nitrophenyl)thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2S)-N-[4-(3-nitrophenyl)-2-thiazolyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2S)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(2-pyrimidylthio)propionamide Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC=CC=N3

InChI

InChI=1S/C16H13N5O3S2/c1-10(26-15-17-6-3-7-18-15)14(22)20-16-19-13(9-25-16)11-4-2-5-12(8-11)21(23)24/h2-10H,1H3,(H,19,20,22)/t10-/m0/s1