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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrophenyl)-4H-1,3,4-thiadiazin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrophenyl)-4H-1,3,4-thiadiazin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrophenyl)-4H-1,3,4-thiadiazin-2-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrophenyl)-4H-1,3,4-thiadiazin-2-amine Traditional Name: [5-(3-nitrophenyl)-4H-1,3,4-thiadiazin-2-yl]-piperonyl-amine Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NNC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NNC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c22-21(23)13-3-1-2-12(7-13)14-9-26-17(20-19-14)18-8-11-4-5-15-16(6-11)25-10-24-15/h1-7,9,19H,8,10H2,(H,18,20)