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

Systemtic Name: 5-nitro-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 5-nitro-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile CAS Name: 5-nitro-2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]benzonitrile IUPAC Name: 5-nitro-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile Traditional Name: 5-nitro-2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]benzonitrile Formula: C12H10N4O2S3 MolecularWeight: 338.4284

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H10N4O2S3/c1-2-5-19-11-14-15-12(21-11)20-10-4-3-9(16(17)18)6-8(10)7-13/h3-4,6H,2,5H2,1H3