N,2-bis[2,3-bis(chloranyl)-6-nitro-phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine

Systemtic Name: N,2-bis[2,3-bis(chloranyl)-6-nitro-phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: N,2-bis(2,3-dichloro-6-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: N,2-bis(2,3-dichloro-6-nitrophenyl)-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: N,2-bis(2,3-dichloro-6-nitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: (2,3-dichloro-6-nitro-phenyl)-[2-(2,3-dichloro-6-nitro-phenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C15H8Cl4N6O4S MolecularWeight: 510.13882

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)NC2=C(C=CC(=C2Cl)Cl)[N+](=O)[O-])C3=C(C=CC(=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)NC2=C(C=CC(=C2Cl)Cl)[N+](=O)[O-])C3=C(C=CC(=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H8Cl4N6O4S/c1-30-15-21-14(20-12-8(24(26)27)4-2-6(16)10(12)18)23(22-15)13-9(25(28)29)5-3-7(17)11(13)19/h2-5H,1H3,(H,20,21,22)