2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenyl-acetamide CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-N-phenylacetamide IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenylacetamide Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-N-phenyl-acetamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C17H16ClN5OS/c18-14-9-5-4-6-12(14)11-25-17-22-21-16(19)23(17)10-15(24)20-13-7-2-1-3-8-13/h1-9H,10-11H2,(H2,19,21)(H,20,24)