N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propyl-triazole-4-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)-5-propyl-4-triazolecarboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-propyltriazole-4-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)-5-propyl-triazole-4-carboxamide Formula: C18H21ClN6OS2 MolecularWeight: 436.98194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)CCC

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)CCC

InChI

InChI=1S/C18H21ClN6OS2/c1-3-5-11-27-18-23-22-17(28-18)20-16(26)15-14(6-4-2)25(24-21-15)13-9-7-12(19)8-10-13/h7-10H,3-6,11H2,1-2H3,(H,20,22,26)