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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=NN3)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=NN3)NC4=CC=CC=C4[N+](=O)[O-]

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/h1-8,18H,9H2,(H,17,19)