2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C18H22N4OS3 MolecularWeight: 406.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SC(C)C(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NN=C(S1)SC(C)C(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4OS3/c1-3-4-13-24-17-20-21-18(26-17)25-14(2)16(23)22(12-8-11-19)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,12-13H2,1-2H3