2-(2-methylpropylsulfanyl)-5-(2-nitrophenyl)sulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(2-methylpropylsulfanyl)-5-(2-nitrophenyl)sulfanyl-1,3,4-thiadiazole Openeye Name: 2-isobutylsulfanyl-5-(2-nitrophenyl)sulfanyl-1,3,4-thiadiazole CAS Name: 2-(2-methylpropylthio)-5-[(2-nitrophenyl)thio]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylpropylsulfanyl)-5-(2-nitrophenyl)sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(isobutylthio)-5-[(2-nitrophenyl)thio]-1,3,4-thiadiazole Formula: C12H13N3O2S3 MolecularWeight: 327.44552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(S1)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=NN=C(S1)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O2S3/c1-8(2)7-18-11-13-14-12(20-11)19-10-6-4-3-5-9(10)15(16)17/h3-6,8H,7H2,1-2H3