N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]cyclobutanecarboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]cyclobutanecarboxamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]cyclobutanecarboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]cyclobutanecarboxamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]cyclobutanecarboxamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]cyclobutanecarboxamide Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H15ClN4OS/c15-11-6-4-9(5-7-11)8-21-14-17-13(18-19-14)16-12(20)10-2-1-3-10/h4-7,10H,1-3,8H2,(H2,16,17,18,19,20)