2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzonitrile Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NN=C(N1C)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H9N5O2S/c1-7-13-14-11(15(7)2)19-10-4-3-9(16(17)18)5-8(10)6-12/h3-5H,1-2H3