2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C17H22ClN5OS2 MolecularWeight: 411.97248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClN5OS2/c1-11-16(12(2)23(3)22-11)21-15(24)10-20-17(25)19-8-9-26-14-6-4-13(18)5-7-14/h4-7H,8-10H2,1-3H3,(H,21,24)(H2,19,20,25)