N-(3-ethoxypropyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3-ethoxypropyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-ethoxypropyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(3-ethoxypropyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-ethoxypropyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 3-ethoxypropyl-[5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H18N4O5S3 MolecularWeight: 418.51152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5S3/c1-3-23-8-4-7-15-13-16-17-14(25-13)24-12-6-5-10(26(2,21)22)9-11(12)18(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)