N-methyl-2-methylsulfanyl-8-[(4-nitrophenyl)methyl]-N-phenyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine

Systemtic Name: N-methyl-2-methylsulfanyl-8-[(4-nitrophenyl)methyl]-N-phenyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine Openeye Name: N-methyl-2-methylsulfanyl-8-[(4-nitrophenyl)methyl]-N-phenyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine CAS Name: N-methyl-2-(methylthio)-8-[(4-nitrophenyl)methyl]-N-phenyl-4-pyrazolo[1,5-a][1,3,5]triazinamine IUPAC Name: N-methyl-2-methylsulfanyl-8-[(4-nitrophenyl)methyl]-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine Traditional Name: methyl-[2-(methylthio)-8-(4-nitrobenzyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-phenyl-amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NC3=C(C=NN32)CC4=CC=C(C=C4)[N+](=O)[O-])SC

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NC3=C(C=NN32)CC4=CC=C(C=C4)[N+](=O)[O-])SC

InChI

InChI=1S/C20H18N6O2S/c1-24(16-6-4-3-5-7-16)20-23-19(29-2)22-18-15(13-21-25(18)20)12-14-8-10-17(11-9-14)26(27)28/h3-11,13H,12H2,1-2H3