2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C16H17ClN6OS MolecularWeight: 376.86378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCCNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(N=C1)CCCNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN6OS/c17-13-5-3-12(4-6-13)15-20-21-16(25)23(15)11-14(24)18-7-1-9-22-10-2-8-19-22/h2-6,8,10H,1,7,9,11H2,(H,18,24)(H,21,25)