2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole Openeye Name: 2-benzylsulfanyl-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-5-(phenylmethylthio)-1,3,4-thiadiazole IUPAC Name: 2-benzylsulfanyl-5-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(benzylthio)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-1,3,4-thiadiazole Formula: C15H15N5O2S3 MolecularWeight: 393.5069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=NN=C(S2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=NN=C(S2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O2S3/c1-11-16-9-13(20(21)22)19(11)7-8-23-14-17-18-15(25-14)24-10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3