N-butyl-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H24N4O3S3 MolecularWeight: 428.59246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H24N4O3S3/c1-2-3-7-18-16-19-20-17(26-16)25-13-14-5-4-6-15(12-14)27(22,23)21-8-10-24-11-9-21/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,19)