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

Systemtic Name: N-(3-ethoxypropyl)-5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-ethoxypropyl)-5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(3-ethoxypropyl)-5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-ethoxypropyl)-5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 3-ethoxypropyl-[5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H23N5O6S3 MolecularWeight: 489.58942

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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O6S3/c1-2-27-9-3-6-18-16-19-20-17(30-16)29-15-5-4-13(12-14(15)22(23)24)31(25,26)21-7-10-28-11-8-21/h4-5,12H,2-3,6-11H2,1H3,(H,18,19)