2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-5-(ethylthio)-1,3,4-thiadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-5-(ethylthio)-1,3,4-thiadiazole Formula: C16H20N4O4S4 MolecularWeight: 460.6144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S4/c1-2-25-15-17-18-16(27-15)26-14-8-7-12(11-13(14)20(21)22)28(23,24)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3