2-chloranyl-3-[[2-(2-chloranyl-3-cyano-4-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]amino]-6-nitro-benzenecarbonitrile

Systemtic Name: 2-chloranyl-3-[[2-(2-chloranyl-3-cyano-4-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]amino]-6-nitro-benzenecarbonitrile Openeye Name: 2-chloro-3-[[2-(2-chloro-3-cyano-4-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]amino]-6-nitro-benzonitrile CAS Name: 2-chloro-3-[[2-(2-chloro-3-cyano-4-nitrophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amino]-6-nitrobenzonitrile IUPAC Name: 2-chloro-3-[[2-(2-chloro-3-cyano-4-nitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]amino]-6-nitrobenzonitrile Traditional Name: 2-chloro-3-[[2-(2-chloro-3-cyano-4-nitro-phenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amino]-6-nitro-benzonitrile Formula: C17H8Cl2N8O4S MolecularWeight: 491.26762

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)NC2=C(C(=C(C=C2)[N+](=O)[O-])C#N)Cl)C3=C(C(=C(C=C3)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

CSC1=NN(C(=N1)NC2=C(C(=C(C=C2)[N+](=O)[O-])C#N)Cl)C3=C(C(=C(C=C3)[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C17H8Cl2N8O4S/c1-32-17-23-16(22-10-2-3-11(26(28)29)8(6-20)14(10)18)25(24-17)13-5-4-12(27(30)31)9(7-21)15(13)19/h2-5H,1H3,(H,22,23,24)