2-(2-methylsulfanylphenyl)-6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazine

Systemtic Name: 2-(2-methylsulfanylphenyl)-6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazine Openeye Name: 2-(2-methylsulfanylphenyl)-6-nitro-4-(3-pyridylmethyl)-3,5-dihydro-1,2,4-triazine CAS Name: 2-[2-(methylthio)phenyl]-6-nitro-4-(3-pyridinylmethyl)-3,5-dihydro-1,2,4-triazine IUPAC Name: 2-(2-methylsulfanylphenyl)-6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazine Traditional Name: 2-[2-(methylthio)phenyl]-6-nitro-4-(3-pyridylmethyl)-3,5-dihydro-1,2,4-triazine Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CN(CC(=N2)[N+](=O)[O-])CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1N2CN(CC(=N2)[N+](=O)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C16H17N5O2S/c1-24-15-7-3-2-6-14(15)20-12-19(11-16(18-20)21(22)23)10-13-5-4-8-17-9-13/h2-9H,10-12H2,1H3