3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloranyl-6-nitro-benzenecarbonitrile

Systemtic Name: 3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloranyl-6-nitro-benzenecarbonitrile Openeye Name: 3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloro-6-nitro-benzonitrile CAS Name: 3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-chloro-6-nitrobenzonitrile IUPAC Name: 3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloro-6-nitrobenzonitrile Traditional Name: 3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-chloro-6-nitro-benzonitrile Formula: C10H7ClN6O2S MolecularWeight: 310.71958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClN6O2S/c1-20-10-14-9(13)16(15-10)7-3-2-6(17(18)19)5(4-12)8(7)11/h2-3H,1H3,(H2,13,14,15)