2-[1-[2-(3-nitrophenyl)-2-oxidanyl-ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one

Systemtic Name: 2-[1-[2-(3-nitrophenyl)-2-oxidanyl-ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one Openeye Name: 2-[1-[2-hydroxy-2-(3-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one CAS Name: 2-[1-[2-hydroxy-2-(3-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one IUPAC Name: 2-[1-[2-hydroxy-2-(3-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one Traditional Name: 2-[1-[2-hydroxy-2-(3-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=NNC(=O)CS2)CC(C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CC=C1C2=NNC(=O)CS2)CC(C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N4O4S/c21-14(12-2-1-3-13(8-12)20(23)24)9-19-6-4-11(5-7-19)16-18-17-15(22)10-25-16/h1-4,8,14,21H,5-7,9-10H2,(H,17,22)