2-methyl-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-methyl-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-thiadiazole Openeye Name: 2-methyl-5-[(E)-3-(4-nitrophenyl)sulfonylallyl]sulfanyl-1,3,4-thiadiazole CAS Name: 2-methyl-5-[[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-methyl-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-thiadiazole Traditional Name: 2-methyl-5-[[(E)-3-nosylallyl]thio]-1,3,4-thiadiazole Formula: C12H11N3O4S3 MolecularWeight: 357.42844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC=CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SC/C=C/S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S3/c1-9-13-14-12(21-9)20-7-2-8-22(18,19)11-5-3-10(4-6-11)15(16)17/h2-6,8H,7H2,1H3/b8-2+