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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzonitrile Formula: C10H8N6O2S MolecularWeight: 276.27452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NN=C(N1N)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H8N6O2S/c1-6-13-14-10(15(6)12)19-9-3-2-8(16(17)18)4-7(9)5-11/h2-4H,12H2,1H3