N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methyl-3-nitro-phenyl)-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methyl-3-nitro-phenyl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methyl-3-nitro-phenyl)-6H-1,3,4-thiadiazin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methyl-3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methyl-3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: [5-(4-methyl-3-nitro-phenyl)-6H-1,3,4-thiadiazin-2-yl]-piperonyl-amine Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(SC2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(SC2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-2-4-13(7-15(11)22(23)24)14-9-27-18(21-20-14)19-8-12-3-5-16-17(6-12)26-10-25-16/h2-7H,8-10H2,1H3,(H,19,21)