2-(2-methylprop-2-enylsulfanyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(2-methylprop-2-enylsulfanyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-thiadiazole Openeye Name: 2-(2-methylallylsulfanyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-thiadiazole CAS Name: 2-(2-methylprop-2-enylthio)-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylprop-2-enylsulfanyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(2-methylallylthio)-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,3,4-thiadiazole Formula: C14H15N3O2S3 MolecularWeight: 353.4828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)SCC(=C)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)SCC(=C)C

InChI

InChI=1S/C14H15N3O2S3/c1-9(2)8-20-13-15-16-14(22-13)21-10(3)11-5-4-6-12(7-11)17(18)19/h4-7,10H,1,8H2,2-3H3/t10-/m1/s1