5,6-bis(4-methoxy-3-nitro-phenyl)-3-methylsulfanyl-1,2,4-triazine

Systemtic Name: 5,6-bis(4-methoxy-3-nitro-phenyl)-3-methylsulfanyl-1,2,4-triazine Openeye Name: 5,6-bis(4-methoxy-3-nitro-phenyl)-3-methylsulfanyl-1,2,4-triazine CAS Name: 5,6-bis(4-methoxy-3-nitrophenyl)-3-(methylthio)-1,2,4-triazine IUPAC Name: 5,6-bis(4-methoxy-3-nitrophenyl)-3-methylsulfanyl-1,2,4-triazine Traditional Name: 5,6-bis(4-methoxy-3-nitro-phenyl)-3-(methylthio)-1,2,4-triazine Formula: C18H15N5O6S MolecularWeight: 429.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=NC(=N2)SC)C3=CC(=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=NC(=N2)SC)C3=CC(=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c1-28-14-6-4-10(8-12(14)22(24)25)16-17(20-21-18(19-16)30-3)11-5-7-15(29-2)13(9-11)23(26)27/h4-9H,1-3H3