4-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: 4-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: 4-[[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-piperidino-s-triazin-2-yl]amine Formula: C17H19N9O2S MolecularWeight: 413.45686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)CSC3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)CSC3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C17H19N9O2S/c18-15-19-13(20-16(22-15)25-8-2-1-3-9-25)10-29-17-21-14(23-24-17)11-4-6-12(7-5-11)26(27)28/h4-7H,1-3,8-10H2,(H,21,23,24)(H2,18,19,20,22)