5-nitro-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenecarbonitrile Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]benzonitrile IUPAC Name: 5-nitro-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzonitrile Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C12H9N5O2S2 MolecularWeight: 319.36216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N5O2S2/c1-2-5-14-11-15-16-12(21-11)20-10-4-3-9(17(18)19)6-8(10)7-13/h2-4,6H,1,5H2,(H,14,15)