5-(1,3-benzodioxol-5-yl)-N-(2-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(2-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-(2-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-(2-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-(2-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-6H-1,3,4-thiadiazin-2-yl]-(2-nitrophenyl)amine Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=NN=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H12N4O4S/c21-20(22)13-4-2-1-3-11(13)17-16-19-18-12(8-25-16)10-5-6-14-15(7-10)24-9-23-14/h1-7H,8-9H2,(H,17,19)