N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: 2-[(6-keto-1H-pyrimidin-2-yl)thio]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C15H12N6O4S2 MolecularWeight: 404.42358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC=CC(=O)N3

Isomeric SMILES

CC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC=CC(=O)N3

InChI

InChI=1S/C15H12N6O4S2/c1-8(26-14-16-6-5-11(22)17-14)12(23)18-15-20-19-13(27-15)9-3-2-4-10(7-9)21(24)25/h2-8H,1H3,(H,16,17,22)(H,18,20,23)