S-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]] N,N-diethylcarbamothioate

Systemtic Name: S-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]] N,N-diethylcarbamothioate Openeye Name: S-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]] ester IUPAC Name: S-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]] ester Formula: C16H19ClN4OS MolecularWeight: 350.86626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3CC3

Isomeric SMILES

CCN(CC)C(=O)SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3CC3

InChI

InChI=1S/C16H19ClN4OS/c1-3-20(4-2)16(22)23-15-19-18-14(11-5-6-11)21(15)13-9-7-12(17)8-10-13/h7-11H,3-6H2,1-2H3